Geometry & MOs

Info

ID:	419901
PubChem CID:	135109636
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-49.18
Dipole, Da:	3.6
IP(EA), eV:	-8.37(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(CCC2)C(=O)CN3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations