Geometry & MOs

Info

ID:	37897
PubChem CID:	8025393
Reduced:	ClON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	63.57
Dipole, Da:	11.46
IP(EA), eV:	-5.48(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-(phenylcarbamoyl)phenyl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2Cl)C3=CC=CC=[NH+]3

DOS

IR

Vibrations