Geometry & MOs

Info

ID:	126250
PubChem CID:	50957299
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	305.12766
ΔH_f, kcal/mol:	-72.09
Dipole, Da:	7.01
IP(EA), eV:	-8.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(=O)N1CCCN2C(=CC(=N2)C(=O)NC3=CC=CC=C3)C1

DOS

IR

Vibrations