Geometry & MOs

Info

ID:	255228
PubChem CID:	103130769
Reduced:	N5C10H13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	88.88
Dipole, Da:	3.31
IP(EA), eV:	-8.92(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-1-(1-methylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CNC(C1=NN(C=C1)C)C2=NC=CC=N2

DOS

IR

Vibrations