Geometry & MOs

Info

ID:	347966
PubChem CID:	127273028
Reduced:	O3N5C17H29 (1)
Stoich.:	A3B5C17D29 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-119.46
Dipole, Da:	2.53
IP(EA), eV:	-8.35(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CN1C(=O)C(NC1=O)(C)C2CC2)N3CCN(CC3)C

DOS

IR

Vibrations