Geometry & MOs

Info

ID:	377014
PubChem CID:	134223049
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	1.38
IP(EA), eV:	-8.89(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-N-propyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CCCN[C@@H]1COCC2=CC=CC=C12

DOS

IR

Vibrations