Geometry & MOs

Info

ID:	317212
PubChem CID:	126633314
Reduced:	N2O9C31H32 (1)
Stoich.:	A2B9C31D32 (1)
Weight, g/mol:	305.177964
ΔH_f, kcal/mol:	-286.48
Dipole, Da:	5.48
IP(EA), eV:	-9.47(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3E)-4-(3,4-diethylphenyl)buta-1,3-dien-2-yl]amino]benzaldehyde

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C(=O)CC2=CC=C(C=C2)OC(=O)/C=C/C(=O)OC3=CC=C(C=C3)CC(=O)C(=O)N4CCOCC4

DOS

IR

Vibrations