Geometry & MOs

Info

ID:	39330
PubChem CID:	8140290
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	397.179514
ΔH_f, kcal/mol:	-14.41
Dipole, Da:	7.5
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

DOS

IR

Vibrations