Geometry & MOs

Info

ID:	27184
PubChem CID:	819061
Reduced:	BrClNO2H3C6 (1)
Stoich.:	ABCD2E3F6 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	3.54
IP(EA), eV:	-10.39(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(cyclopentylideneamino) N-(4-methylphenyl)carbamate

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)Br)C(=O)O

DOS

IR

Vibrations