Geometry & MOs

Info

ID:	377066
PubChem CID:	134223102
Reduced:	ClNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-42.77
Dipole, Da:	3.24
IP(EA), eV:	-9.45(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-6-methyl-3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H](C2=C(CO1)C=CC=C2Cl)N

DOS

IR

Vibrations