Geometry & MOs

Info

ID:	64075
PubChem CID:	29196017
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	345.184112
ΔH_f, kcal/mol:	31.62
Dipole, Da:	3.59
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-3,5-dimethylpyrazol-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations