Geometry & MOs

Info

ID:	376977
PubChem CID:	134223012
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-41.43
Dipole, Da:	1.79
IP(EA), eV:	-9.12(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations