Geometry & MOs

Info

ID:	27736
PubChem CID:	823339
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	6.22
Dipole, Da:	4.1
IP(EA), eV:	-9.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NCC2=CC=CC=N2

DOS

IR

Vibrations