Geometry & MOs

Info

ID:	377060
PubChem CID:	134223096
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	211.076392
ΔH_f, kcal/mol:	-47.12
Dipole, Da:	3.75
IP(EA), eV:	-8.96(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-8-chloro-3,5-dimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=C(CO1)C=C(C(=C2)C)C)N

DOS

IR

Vibrations