Geometry & MOs

Info

ID:	46167
PubChem CID:	10522746
Reduced:	N2O2C23H27 (1)
Stoich.:	A2B2C23D27 (1)
Weight, g/mol:	363.196507
ΔH_f, kcal/mol:	-16.44
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756728
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium;chloride

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC3(CCCC4=CC=CC=C43)N(C(C2=O)(C)C)[O]

DOS

IR

Vibrations