Geometry & MOs

Info

ID:	162352
PubChem CID:	57394402
Reduced:	ClN2H10C13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	395.257277
ΔH_f, kcal/mol:	108.27
Dipole, Da:	4.55
IP(EA), eV:	-8.89(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CCNC3=C(C=CC=N3)C4=NC5=CC(=C(C=C5N4)Cl)Cl

DOS

IR

Vibrations