Geometry & MOs

Info

ID:	156548
PubChem CID:	56371090
Reduced:	ClO2N5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	449.127297
ΔH_f, kcal/mol:	-26.74
Dipole, Da:	5.66
IP(EA), eV:	-7.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations