Geometry & MOs

Info

ID:

448016

PubChem CID:

135287622

Reduced:

F2N7H19C23 (1)

Stoich.:

A2B7C19D23 (1)

Weight, g/mol:

465.197631

ΔHf, kcal/mol:

89.13

Dipole, Da:

12.11

IP(EA), eV:

 -10.02(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(1R,8S)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]-N-[(2R)-2-hydroxypropyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=NC(=NC=C5)N6C=NN=C6)C

DOS

IR

Vibrations