Geometry & MOs

Info

ID:	27801
PubChem CID:	823659
Reduced:	ClNOH16C19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	6.46
Dipole, Da:	1.77
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-6-cyclohexyloxyiminocyclohexa-2,4-dien-1-ylidene)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations