Geometry & MOs

Info

ID:	199270
PubChem CID:	79224917
Reduced:	N2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	237.220498
ΔH_f, kcal/mol:	51.94
Dipole, Da:	4.11
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CCNCCC1=C(N(N=C1C)C2=CC=NC=C2)C

DOS

IR

Vibrations