Geometry & MOs

Info

ID:	306307
PubChem CID:	125003691
Reduced:	ClO2N4C30H39 (1)
Stoich.:	AB2C4D30E39 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-43.93
Dipole, Da:	3.3
IP(EA), eV:	-8.55(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@]2(CCCN(C2)CC3=C(N(N=C3C)C)C)CC(=O)N(C)CC4=CC=CC=C4)Cl

DOS

IR

Vibrations