Geometry & MOs

Info

ID:	255367
PubChem CID:	103131617
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	59.07
Dipole, Da:	1.84
IP(EA), eV:	-8.61(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=CC(=CC=C1)C2=NN(C=C2)C

DOS

IR

Vibrations