Geometry & MOs

Info

ID:	369535
PubChem CID:	127334557
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-36.83
Dipole, Da:	5.87
IP(EA), eV:	-7.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-N-(2-propan-2-ylindazol-5-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=C2C=C(C=CC2=N1)NC(=O)C3=CC4=C(CCCC4)NC3=O

DOS

IR

Vibrations