Geometry & MOs

Info

ID:	309271
PubChem CID:	126541464
Reduced:	O7C13H25 (2)
Stoich.:	A7B13C25 (2)
Weight, g/mol:	430.218032
ΔH_f, kcal/mol:	-660.68
Dipole, Da:	8.19
IP(EA), eV:	-9.7(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2,4-difluorophenyl)methyl]-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2H-pyrrolo[2,3-c]pyridin-5-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](OC([C@@H](C1O)O)CO)OCCOCCOCC(C)COCCOCCOC2C(C(C(C(O2)CO)O)O)C

DOS

IR

Vibrations