Geometry & MOs

Info

ID:	21457
PubChem CID:	588367
Reduced:	NOCl2C24H29 (1)
Stoich.:	ABC2D24E29 (1)
Weight, g/mol:	417.16262
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	4.41
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dibutylamino)-1-(6,7-dichlorophenanthren-1-yl)ethanol

Drug info:

PubChemData

Smile

CCCCN(CCCC)CC(C1=CC=CC2=C1C=CC3=CC(=C(C=C32)Cl)Cl)O

DOS

IR

Vibrations