Geometry & MOs

Info

ID:	393260
PubChem CID:	135019900
Reduced:	NO4C21H31 (1)
Stoich.:	AB4C21D31 (1)
Weight, g/mol:	275.131014
ΔH_f, kcal/mol:	-198.37
Dipole, Da:	4.33
IP(EA), eV:	-9.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-phenyl-1H-indol-3-yl)pent-3-en-2-one

Drug info:

PubChemData

Smile

CC1CC2=CC(=O)[C@H]3C2(CCCN(CCC3)C(=O)OC(C)(C)C)C(=O)C1

DOS

IR

Vibrations