Geometry & MOs

Info

ID:	145960
PubChem CID:	53618258
Reduced:	N7C16H21 (1)
Stoich.:	A7B16C21 (1)
Weight, g/mol:	406.171499
ΔH_f, kcal/mol:	94.04
Dipole, Da:	1.75
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CCCN2C3=NC=NC4=C3C=NN4C)C

DOS

IR

Vibrations