Geometry & MOs

Info

ID:	329758
PubChem CID:	127246625
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	-1.98
Dipole, Da:	6.41
IP(EA), eV:	-9.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3(CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations