Geometry & MOs

Info

ID:	417517
PubChem CID:	135098078
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	347.17644
ΔH_f, kcal/mol:	-103.48
Dipole, Da:	4.54
IP(EA), eV:	-9.79(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[(3-chloro-1H-indol-2-yl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)CCN2C=NN=C2)C(=O)O

DOS

IR

Vibrations