Geometry & MOs

Info

ID:	28023
PubChem CID:	824945
Reduced:	NSO3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	4.53
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(N1C)O)C(=O)C2=CC=CS2

DOS

IR

Vibrations