Geometry & MOs

Info

ID:	51024
PubChem CID:	12013638
Reduced:	NPH24C26 (1)
Stoich.:	ABC24D26 (1)
Weight, g/mol:	304.186087
ΔH_f, kcal/mol:	75.28
Dipole, Da:	5.93
IP(EA), eV:	-7.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-heptyl-6-(4-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=P(CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations