Geometry & MOs

Info

ID:	397621
PubChem CID:	135030479
Reduced:	ClNH26C34 (1)
Stoich.:	ABC26D34 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	152.3
Dipole, Da:	3.63
IP(EA), eV:	-8.15(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-(hydroxymethyl)-1-oxo-4,5-dihydro-3H-pyrido[4,3-b]indol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(N2)C4C=CC(=C(C5=CC=CC=C5)C6=CC=CC=C6)C4C3C7=CC=C(C=C7)Cl

DOS

IR

Vibrations