Geometry & MOs

Info

ID:	48595
PubChem CID:	11109351
Reduced:	NO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-67.1
Dipole, Da:	3.48
IP(EA), eV:	-9.0(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2/C=C/C(=O)OC)N3C

DOS

IR

Vibrations