Geometry & MOs

Info

ID:	392656
PubChem CID:	135017544
Reduced:	ON6H10C13 (1)
Stoich.:	AB6C10D13 (1)
Weight, g/mol:	320.116092
ΔH_f, kcal/mol:	63.53
Dipole, Da:	1.18
IP(EA), eV:	-8.94(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1H-indol-3-ylmethyl)-4-(2-nitrophenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C(=NC=N2)NC3=C(N=CC=C3)C(=O)N)N=C1

DOS

IR

Vibrations