Geometry & MOs

Info

ID:	53256
PubChem CID:	14709902
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	437.292994
ΔH_f, kcal/mol:	-71.29
Dipole, Da:	0.97
IP(EA), eV:	-9.34(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-cyclohexyl-1-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]ethanamine

Drug info:

PubChemData

Smile

CC1(O[C@@H]([C@H](O1)C=NCC2=CC=CC=C2)COCC3=CC=CC=C3)C

DOS

IR

Vibrations