Geometry & MOs

Info

ID:	329747
PubChem CID:	127246614
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-104.39
Dipole, Da:	6.01
IP(EA), eV:	-9.32(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CN3C(=O)C(NC3=O)(C)C

DOS

IR

Vibrations