Geometry & MOs

Info

ID:	146726
PubChem CID:	53737633
Reduced:	O5C22H38 (1)
Stoich.:	A5B22C38 (1)
Weight, g/mol:	391.214744
ΔH_f, kcal/mol:	-261.97
Dipole, Da:	4.94
IP(EA), eV:	-9.65(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylamino]-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CCCCC(CCC[C@H]1CCC(=O)[C@@H]1CCCCC=C(C(=O)OC)OC)O

DOS

IR

Vibrations