Geometry & MOs

Info

ID:	329706
PubChem CID:	127246573
Reduced:	ON6C16H16 (1)
Stoich.:	AB6C16D16 (1)
Weight, g/mol:	309.165269
ΔH_f, kcal/mol:	73.57
Dipole, Da:	5.98
IP(EA), eV:	-9.09(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-difluorocyclohexyl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations