Geometry & MOs

Info

ID:	35557
PubChem CID:	7980026
Reduced:	ClN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-102.26
Dipole, Da:	2.57
IP(EA), eV:	-8.75(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations