Geometry & MOs

Info

ID:	122423
PubChem CID:	50805781
Reduced:	ClN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	396.195011
ΔH_f, kcal/mol:	-27.43
Dipole, Da:	6.25
IP(EA), eV:	-9.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylamino)phenyl]-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC(=CC=C2)Cl)C(=O)N3CCCCCC3

DOS

IR

Vibrations