Geometry & MOs

Info

ID:	238983
PubChem CID:	93165812
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-52.19
Dipole, Da:	4.37
IP(EA), eV:	-9.06(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-ethyl-6-methyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC[C@H]1C2=C(CCN1C(=O)C)C=C(C=C2)C

DOS

IR

Vibrations