Geometry & MOs

Info

ID:	255731
PubChem CID:	103134340
Reduced:	BrN3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	277.134575
ΔH_f, kcal/mol:	49.81
Dipole, Da:	2.07
IP(EA), eV:	-8.93(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations