Geometry & MOs

Info

ID:	164267
PubChem CID:	74382672
Reduced:	ClO3N4C27H37 (1)
Stoich.:	AB3C4D27E37 (1)
Weight, g/mol:	514.271069
ΔH_f, kcal/mol:	-64.02
Dipole, Da:	7.33
IP(EA), eV:	-8.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-[4-[C-(4-chlorophenyl)-N-methoxycarbonimidoyl]phenoxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1CCN(CC1)CCCCCOC2=CC=C(C=C2)C=NOC3=CC=C(C=C3)Cl

DOS

IR

Vibrations