Geometry & MOs

Info

ID:	377031
PubChem CID:	134223066
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-30.56
Dipole, Da:	2.59
IP(EA), eV:	-9.07(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-methyl-N-prop-2-ynyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations