Geometry & MOs

Info

ID:	299140
PubChem CID:	117672622
Reduced:	N2O4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	510.349781
ΔH_f, kcal/mol:	-37.62
Dipole, Da:	2.3
IP(EA), eV:	-8.91(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(5-cyclohexyl-2,4-dimethylphenyl)-[5-cyclohexyl-4-(hydroxymethyl)-2-methylphenyl]methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC2=C(C=C1)NC(C3C2C4=CC=CC=C4C3)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations