Geometry & MOs

Info

ID:	207346
PubChem CID:	80383342
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-118.57
Dipole, Da:	4.26
IP(EA), eV:	-9.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(dimethylamino)methyl]phenyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC)NC(=O)C1=NNC(=N1)C(C)(C)C

DOS

IR

Vibrations