Geometry & MOs

Info

ID:	179263
PubChem CID:	76458463
Reduced:	NOC4H5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-168.39
Dipole, Da:	4.6
IP(EA), eV:	-9.88(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(=O)N1)CCC(=O)NC(C2=CC=CC=C2)C(=O)N

DOS

IR

Vibrations