Geometry & MOs

Info

ID:	69777
PubChem CID:	47205380
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	247.095691
ΔH_f, kcal/mol:	-6.68
Dipole, Da:	4.32
IP(EA), eV:	-9.01(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-N-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C(C)N2C=CN=C2)C

DOS

IR

Vibrations