Geometry & MOs

Info

ID:	63182
PubChem CID:	26746620
Reduced:	ClN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	-101.02
Dipole, Da:	9.09
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]propyl]benzamide

Drug info:

PubChemData

Smile

CCC(=O)O[C@H](C)C(=O)NC1=CC(=C(C=C1)C#N)Cl

DOS

IR

Vibrations