Geometry & MOs

Info

ID:	14437
PubChem CID:	411340
Reduced:	NO2C22H31 (1)
Stoich.:	AB2C22D31 (1)
Weight, g/mol:	341.235479
ΔH_f, kcal/mol:	-73.63
Dipole, Da:	4.02
IP(EA), eV:	-8.78(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]heptan-4-ol

Drug info:

PubChemData

Smile

CCCC(C(CC)NC(CC1=CC=CC=C1)C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations