Geometry & MOs

Info

ID:	392889
PubChem CID:	135018318
Reduced:	NOC27H31 (1)
Stoich.:	ABC27D31 (1)
Weight, g/mol:	385.302413
ΔH_f, kcal/mol:	-2.58
Dipole, Da:	3.39
IP(EA), eV:	-9.21(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dicyclohexyl(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanium

Drug info:

PubChemData

Smile

CC1CC[C@H]([C@@](C1)(C2=CC=CC=C2C3=CC=CC(=N3)C4=CC=CC=C4)O)C(C)C

DOS

IR

Vibrations