Geometry & MOs

Info

ID:	318666
PubChem CID:	126652671
Reduced:	ClON5H14C16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	22.94
Dipole, Da:	2.74
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-4-yl-1,3a,5,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)N)Cl

DOS

IR

Vibrations