Geometry & MOs

Info

ID:	77466
PubChem CID:	49635713
Reduced:	O4N5C21H31 (1)
Stoich.:	A4B5C21D31 (1)
Weight, g/mol:	407.152431
ΔH_f, kcal/mol:	-154.02
Dipole, Da:	6.86
IP(EA), eV:	-8.99(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-4-fluorobenzoyl)-N-[3-(2-methylimidazol-1-yl)propyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCNC(=O)NCC(C2=CC=CC=C2OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations