Geometry & MOs

Info

ID:	252326
PubChem CID:	103110587
Reduced:	BrN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-7.29
Dipole, Da:	5.34
IP(EA), eV:	-9.38(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=CC(=CN2C)Br

DOS

IR

Vibrations