Geometry & MOs

Info

ID:	340214
PubChem CID:	127262223
Reduced:	ClN2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	214.085461
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	0.58
IP(EA), eV:	-9.7(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-cyano-N-(2-cyanoethyl)carbamimidate

Drug info:

PubChemData

Smile

COC(=N)N(C(=O)C1=CC=CC=C1)Cl

DOS

IR

Vibrations