Geometry & MOs

Info

ID:	334666
PubChem CID:	127253341
Reduced:	BrON3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-3.3
Dipole, Da:	3.61
IP(EA), eV:	-8.2(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrol-1-yl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(N1CCC(=O)N2CCC3=C(C2)C4=C(N3)C(=CC=C4)Br)C

DOS

IR

Vibrations