Geometry & MOs

Info

ID:	50865
PubChem CID:	12013454
Reduced:	PN2O2S2C18H21 (1)
Stoich.:	AB2C2D2E18F21 (1)
Weight, g/mol:	345.181767
ΔH_f, kcal/mol:	-84.23
Dipole, Da:	5.62
IP(EA), eV:	-8.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

borane;4-(1-diphenylphosphanylethyl)-1-methylcyclohexa-2,5-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CNC(=S)C1=CC=CC=C1N2CCCOP2(=S)C3=CC=C(C=C3)OC

DOS

IR

Vibrations