Geometry & MOs

Info

ID:	276739
PubChem CID:	103824852
Reduced:	BrON4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	205.09636
ΔH_f, kcal/mol:	42.81
Dipole, Da:	3.68
IP(EA), eV:	-9.58(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations