Geometry & MOs

Info

ID:	37176
PubChem CID:	8017899
Reduced:	ClO3N5C17H18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	4.16
IP(EA), eV:	-9.15(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-methyl-2-(4-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations