Geometry & MOs

Info

ID:	414517
PubChem CID:	135087476
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	7.14
IP(EA), eV:	-9.01(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4aS,8aS)-4a-(hydroxymethyl)-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridin-7-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCN(C)CC2=CC(=O)N3C=CC=C(C3=N2)O

DOS

IR

Vibrations