Geometry & MOs

Info

ID:	255732
PubChem CID:	103134341
Reduced:	ClN3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	321.08406
ΔH_f, kcal/mol:	38.65
Dipole, Da:	1.9
IP(EA), eV:	-8.86(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C2=CC=CC(=C2Cl)C

DOS

IR

Vibrations