Geometry & MOs

Info

ID:	126174
PubChem CID:	50954380
Reduced:	ON3C18H29 (1)
Stoich.:	AB3C18D29 (1)
Weight, g/mol:	309.133808
ΔH_f, kcal/mol:	-42.86
Dipole, Da:	3.21
IP(EA), eV:	-8.56(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]-N-pyrazin-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC(=N2)CCNC(C)CC(C)(C)OC)C

DOS

IR

Vibrations