Geometry & MOs

Info

ID:	64076
PubChem CID:	29196019
Reduced:	ON3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	26.09
Dipole, Da:	4.22
IP(EA), eV:	-9.28(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methyl-3-(nitromethyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations