Geometry & MOs

Info

ID:	377080
PubChem CID:	134223118
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-20.49
Dipole, Da:	2.53
IP(EA), eV:	-8.59(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations