Geometry & MOs

Info

ID:	312660
PubChem CID:	126607216
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	474.240624
ΔH_f, kcal/mol:	9.56
Dipole, Da:	2.39
IP(EA), eV:	-9.37(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-[4-methyl-3-[[4-[(1-methyl-3H-2-benzofuran-1-yl)methoxy]phenyl]methyl]phenyl]oxan-4-ol

Drug info:

PubChemData

Smile

CCC1=NC=C(C=C1)CCC(CC)C=C

DOS

IR

Vibrations