Geometry & MOs

Info

ID:	449002
PubChem CID:	135295110
Reduced:	ON2C32H36 (1)
Stoich.:	AB2C32D36 (1)
Weight, g/mol:	471.305487
ΔH_f, kcal/mol:	34.74
Dipole, Da:	5.11
IP(EA), eV:	-8.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3E,6Z)-8-(5-ethyl-2,4-dimethyl-1H-phosphol-3-yl)-2,6-dimethyl-4-(4-methylphenyl)nona-3,6,8-trienyl]-2,3-dihydro-1H-azepine

Drug info:

PubChemData

Smile

CC1CN=CC(=C1)C2=CC(CCC3=C2N=CC(=C3)C4=C(OCC(=C4C)C)C)C(C)C5=CC=CC=C5

DOS

IR

Vibrations