Geometry & MOs

Info

ID:	420027
PubChem CID:	135110810
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	361.19209
ΔH_f, kcal/mol:	7.67
Dipole, Da:	2.11
IP(EA), eV:	-9.03(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[(7-chloro-3-methyl-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

CC1=CN=C(C=C1)NC(=O)CN(C)CCCN2C(=CC(=N2)C)C

DOS

IR

Vibrations