Geometry & MOs

Info

ID:	422442
PubChem CID:	135117837
Reduced:	N3O4C19H29 (1)
Stoich.:	A3B4C19D29 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	-156.52
Dipole, Da:	6.89
IP(EA), eV:	-9.17(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(O2)C(=O)NC3CC(=O)N(C3)CCOC

DOS

IR

Vibrations