Geometry & MOs

Info

ID:	377007
PubChem CID:	134223042
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-36.77
Dipole, Da:	1.84
IP(EA), eV:	-9.28(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-4-amino-3-methyl-3,4-dihydro-1H-isochromen-7-yl] N-ethyl-N-methylcarbamate

Drug info:

PubChemData

Smile

CCC[C@@H]1C(C2=CC=CC=C2CO1)N

DOS

IR

Vibrations