Geometry & MOs

Info

ID:	53257
PubChem CID:	14709903
Reduced:	NO3C28H39 (1)
Stoich.:	AB3C28D39 (1)
Weight, g/mol:	437.292994
ΔH_f, kcal/mol:	-121.0
Dipole, Da:	2.3
IP(EA), eV:	-8.87(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C(CC2CCCCC2)NCC3=CC=CC=C3)COCC4=CC=CC=C4)C

DOS

IR

Vibrations