Geometry & MOs

Info

ID:

448033

PubChem CID:

135287850

Reduced:

OF2N7H21C25 (1)

Stoich.:

AB2C7D21E25 (1)

Weight, g/mol:

438.125882

ΔHf, kcal/mol:

26.67

Dipole, Da:

11.59

IP(EA), eV:

 -9.71(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(1R,8R)-5-(2-chloro-6-fluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyrimidine-2-carboxylate

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=C(N=C6)C(=O)N)C

DOS

IR

Vibrations