Geometry & MOs

Info

ID:	271374
PubChem CID:	103670938
Reduced:	BrClN2O2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	294.088353
ΔH_f, kcal/mol:	-76.46
Dipole, Da:	3.39
IP(EA), eV:	-8.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-2-nitrophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CCN1CCOC(C1)CNC(=O)C2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations