Geometry & MOs

Info

ID:	300101
PubChem CID:	119526813
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	-4.65
Dipole, Da:	6.97
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=NN(C=C2)C3=CC=C(C=C3)OC)N

DOS

IR

Vibrations