Geometry & MOs

Info

ID:	413069
PubChem CID:	135086013
Reduced:	BrN2C23H23 (1)
Stoich.:	AB2C23D23 (1)
Weight, g/mol:	362.126657
ΔH_f, kcal/mol:	107.52
Dipole, Da:	2.24
IP(EA), eV:	-8.42(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=C(N(C2=CC=CC=C21)CCC#CC3=CC=CC=C3)Br

DOS

IR

Vibrations