Geometry & MOs

Info

ID:	276724
PubChem CID:	103824811
Reduced:	BrON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	209.12766
ΔH_f, kcal/mol:	30.13
Dipole, Da:	4.06
IP(EA), eV:	-8.96(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCNC(=O)C2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations