Geometry & MOs

Info

ID:

307002

PubChem CID:

125264608

Reduced:

O2N5C17H23 (1)

Stoich.:

A2B5C17D23 (1)

Weight, g/mol:

346.236876

ΔHf, kcal/mol:

-7.55

Dipole, Da:

6.15

IP(EA), eV:

 -9.32(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3aR,7aR)-1-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)N2CC[C@@H]3[C@H](C2)C[C@H](N3C)CN4C=NC=N4

DOS

IR

Vibrations