Geometry & MOs

Info

ID:	309563
PubChem CID:	126548674
Reduced:	NOH49C64 (1)
Stoich.:	ABC49D64 (1)
Weight, g/mol:	372.137497
ΔH_f, kcal/mol:	212.15
Dipole, Da:	3.37
IP(EA), eV:	-7.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-7-quinolin-2-ylisoquinoline

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4CC=C(C=C4)C5=CC=CC6=C5OC7=CC=CC=C67)C8=C9C(=CCC8)C(C1=C9C=CC(=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations