Geometry & MOs

Info

ID:	197481
PubChem CID:	78969720
Reduced:	BrN2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	289.117489
ΔH_f, kcal/mol:	-25.23
Dipole, Da:	3.84
IP(EA), eV:	-9.78(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations