Geometry & MOs

Info

ID:	287955
PubChem CID:	104302300
Reduced:	ClO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	295.108754
ΔH_f, kcal/mol:	-48.5
Dipole, Da:	3.55
IP(EA), eV:	-8.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations