Geometry & MOs

Info

ID:	377065
PubChem CID:	134223101
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	211.076392
ΔH_f, kcal/mol:	-41.85
Dipole, Da:	2.54
IP(EA), eV:	-9.26(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-5-chloro-3-ethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations