Geometry & MOs

Info

ID:	403345
PubChem CID:	135059819
Reduced:	N2O5H26C28 (1)
Stoich.:	A2B5C26D28 (1)
Weight, g/mol:	454.204513
ΔH_f, kcal/mol:	-87.25
Dipole, Da:	2.68
IP(EA), eV:	-8.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-benzyl-2,3-bis(4-methylphenyl)pyrido[3,4-b]indol-1-one

Drug info:

PubChemData

Smile

CCOCN1C2=CC=CC=C2C3=C1N=C(C=C3OC4=CC=C(C=C4)OC)OC5=CC=CC(=C5)OC

DOS

IR

Vibrations