Geometry & MOs

Info

ID:	446130
PubChem CID:	135272586
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	-65.45
Dipole, Da:	5.47
IP(EA), eV:	-9.94(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCC12CCC(O[C@H]1C(C(=O)C(C2)C#N)(C)C)C=C

DOS

IR

Vibrations