Geometry & MOs

Info

ID:	340676
PubChem CID:	127262687
Reduced:	PC28H40 (1)
Stoich.:	AB28C40 (1)
Weight, g/mol:	354.222486
ΔH_f, kcal/mol:	-13.67
Dipole, Da:	8.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.947580
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclohexyl-[4-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[P+](C2CCCCC2)(C3CCCCC3)C4=CC=C(C=C4)CC

DOS

IR

Vibrations