Geometry & MOs

Info

ID:	208146
PubChem CID:	80501077
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	332.02727
ΔH_f, kcal/mol:	21.15
Dipole, Da:	3.73
IP(EA), eV:	-9.0(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-bromo-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1CC(C1)(C#N)C(=O)NCC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations