Geometry & MOs

Info

ID:	400094
PubChem CID:	135045363
Reduced:	NPO2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	171.104799
ΔH_f, kcal/mol:	-108.09
Dipole, Da:	3.03
IP(EA), eV:	-7.98(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-6-phenylcyclohexa-2,4-dien-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=CC=CC=C2N1P(OC)OC

DOS

IR

Vibrations