Geometry & MOs

Info

ID:	418150
PubChem CID:	135103714
Reduced:	ON7C16H23 (1)
Stoich.:	AB7C16D23 (1)
Weight, g/mol:	302.149124
ΔH_f, kcal/mol:	37.56
Dipole, Da:	3.59
IP(EA), eV:	-9.03(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-amino-1H-1,2,4-triazol-5-yl)methylamino]-3-oxopropyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=CN=C(N=C1)N)C2=NC(=NC(=C2)C3CC(C3)N)COC

DOS

IR

Vibrations