Geometry & MOs

Info

ID:	85633
PubChem CID:	49877806
Reduced:	N2O3C31H40 (1)
Stoich.:	A2B3C31D40 (1)
Weight, g/mol:	404.152478
ΔH_f, kcal/mol:	-113.76
Dipole, Da:	2.73
IP(EA), eV:	-9.16(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]amino]-4,5-diphenylfuran-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(=NC3CCCCC3)NC4CCCCC4

DOS

IR

Vibrations