Geometry & MOs

Info

ID:	156639
PubChem CID:	56371475
Reduced:	O2N4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-34.12
Dipole, Da:	3.6
IP(EA), eV:	-7.99(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-methylphenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)NC(C)CC(=O)NC3=CC(=CC=C3)N4CCCC4

DOS

IR

Vibrations