Geometry & MOs

Info

ID:	27542
PubChem CID:	821898
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	333.133808
ΔH_f, kcal/mol:	-16.99
Dipole, Da:	2.91
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NO)NCC(=O)N

DOS

IR

Vibrations