Geometry & MOs

Info

ID:	315429
PubChem CID:	126626425
Reduced:	NOC21H43 (1)
Stoich.:	ABC21D43 (1)
Weight, g/mol:	418.341108
ΔH_f, kcal/mol:	-100.74
Dipole, Da:	3.49
IP(EA), eV:	-8.42(2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-difluoro-1-(4-heptylcyclohexyl)-4-(4-propylcyclohexyl)benzene

Drug info:

PubChemData

Smile

CCC(C)(C)CC1(COC1)C(C)(C)CC(C)N(C(C)C)C(C)C

DOS

IR

Vibrations