Geometry & MOs

Info

ID:	448871
PubChem CID:	135294178
Reduced:	N3C29H35 (1)
Stoich.:	A3B29C35 (1)
Weight, g/mol:	407.20997
ΔH_f, kcal/mol:	94.98
Dipole, Da:	6.73
IP(EA), eV:	-8.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1Z,3Z)-1-[2-[3-carboxypropyl(propan-2-yl)amino]-4-(dimethylamino)phenyl]-2-methylpenta-1,3-dienyl]-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

CCN(CC)C1CCN(CC1)C\2=CC(=NC(=C)/C2=C\C=C/C)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations