Geometry & MOs

Info

ID:	261161
PubChem CID:	103220691
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	347.95264
ΔH_f, kcal/mol:	-68.27
Dipole, Da:	4.92
IP(EA), eV:	-9.25(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(1-cyanoethyl)-4-iodo-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)CCOCCN1C(=O)C=C(C=N1)NC2CCC2

DOS

IR

Vibrations