Geometry & MOs

Info

ID:	172329
PubChem CID:	75497050
Reduced:	N4O4C21H36 (1)
Stoich.:	A4B4C21D36 (1)
Weight, g/mol:	304.107259
ΔH_f, kcal/mol:	-212.48
Dipole, Da:	1.42
IP(EA), eV:	-8.85(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-phenyl-1,2,4-triazol-3-yl)-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC(CC1)N2CCN(CC2)C(=O)C(=O)N3CCCC3

DOS

IR

Vibrations