Geometry & MOs

Info

ID:	56122
PubChem CID:	17416732
Reduced:	ClO2N5H14C15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-15.03
Dipole, Da:	3.04
IP(EA), eV:	-8.89(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C)Cl

DOS

IR

Vibrations