Geometry & MOs

Info

ID:	61609
PubChem CID:	26710922
Reduced:	ClON2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	406.134028
ΔH_f, kcal/mol:	19.9
Dipole, Da:	4.8
IP(EA), eV:	-8.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32)Cl

DOS

IR

Vibrations