Geometry & MOs

Info

ID:	438928
PubChem CID:	135228689
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	466.319543
ΔH_f, kcal/mol:	-102.89
Dipole, Da:	12.1
IP(EA), eV:	-9.0(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3Z)-6-[4-[(Z)-1-amino-3-butyliminoprop-1-en-2-yl]-2-(2,3-dimethylbutyl)-5-methoxyphenyl]-3-ethylidenehept-5-ene-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CNN=C4

DOS

IR

Vibrations