Geometry & MOs

Info

ID:	449012
PubChem CID:	135295198
Reduced:	FN5C30H44 (1)
Stoich.:	AB5C30D44 (1)
Weight, g/mol:	474.278347
ΔH_f, kcal/mol:	-26.15
Dipole, Da:	5.48
IP(EA), eV:	-8.2(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-2H-pyrrol-4-yl)-3-(4-methylphenyl)pyrrolo[3,2-b]pyridine

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC=C(C=C1)C2CN(C3=C2N=CC(=C3)/C(=C(\C)/N)/N(C)N)CC4CCC(CC4)(C)F

DOS

IR

Vibrations