Geometry & MOs

Info

ID:	189093
PubChem CID:	77817018
Reduced:	ClOSN2C10H15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	273.032334
ΔH_f, kcal/mol:	-34.8
Dipole, Da:	2.29
IP(EA), eV:	-9.05(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyano-3-(3,4-dichlorocyclohexa-2,4-dien-1-yl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)NCC(C1=CC=C(S1)Cl)C(=O)N

DOS

IR

Vibrations