Geometry & MOs

Info

ID:	194815
PubChem CID:	78593308
Reduced:	NO3C18H32 (1)
Stoich.:	AB3C18D32 (1)
Weight, g/mol:	306.206919
ΔH_f, kcal/mol:	-132.06
Dipole, Da:	4.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755472
Charge, e:	1

Chem-info

IUPAC name:

[3-(3-acetylphenoxy)-2-hydroxypropyl]-(cyclohexylmethyl)azanium

Drug info:

PubChemData

Smile

CCC(CO)[NH2+]CC(COC1=C(C=C(C=C1)C(C)(C)C)C)O

DOS

IR

Vibrations