Geometry & MOs

Info

ID:	156545
PubChem CID:	56371081
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-120.37
Dipole, Da:	4.45
IP(EA), eV:	-7.97(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C(C)OCC3CC3

DOS

IR

Vibrations