Geometry & MOs

Info

ID:	394099
PubChem CID:	135022324
Reduced:	ClNH16C20 (1)
Stoich.:	ABC16D20 (1)
Weight, g/mol:	263.094629
ΔH_f, kcal/mol:	79.38
Dipole, Da:	3.57
IP(EA), eV:	-8.65(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenacyl-1H-indole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C=C2)/C=C/C=C/C3=CC=C(C=C3)Cl

DOS

IR

Vibrations