Geometry & MOs

Info

ID:	219368
PubChem CID:	85148326
Reduced:	N2O4C29H36 (1)
Stoich.:	A2B4C29D36 (1)
Weight, g/mol:	476.303893
ΔH_f, kcal/mol:	-121.97
Dipole, Da:	1.83
IP(EA), eV:	-8.55(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-2-(butanoylamino)phenyl] 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCN1C2=C(C(=CC(=C2)OC)O)NC3=C(C1=O)C=CC=C3O)C)C)C

DOS

IR

Vibrations