Geometry & MOs

Info

ID:	13294
PubChem CID:	225019
Reduced:	NOC22H29 (1)
Stoich.:	ABC22D29 (1)
Weight, g/mol:	323.224915
ΔH_f, kcal/mol:	-30.39
Dipole, Da:	3.13
IP(EA), eV:	-8.3(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-cyclohexyl-6-[(dimethylamino)methyl]phenol

Drug info:

PubChemData

Smile

CN(C)CC1=C(C(=CC(=C1)CC2=CC=CC=C2)C3CCCCC3)O

DOS

IR

Vibrations