Geometry & MOs

Info

ID:	17678
PubChem CID:	511514
Reduced:	NOH10C12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	368.152478
ΔH_f, kcal/mol:	33.23
Dipole, Da:	2.17
IP(EA), eV:	-8.7(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminophenyl)-3-[4-[3-(3-aminophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)C(=O)C=CC2=CC=C(C=C2)C=CC(=O)C3=CC(=CC=C3)N

DOS

IR

Vibrations