Geometry & MOs

Info

ID:	287954
PubChem CID:	104302297
Reduced:	ClO2N3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	269.093104
ΔH_f, kcal/mol:	-39.22
Dipole, Da:	3.55
IP(EA), eV:	-8.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4Z)-4-amino-4-hydroxyiminobutyl]-4-chloro-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C/C(=N/O)/N)Cl

DOS

IR

Vibrations