Geometry & MOs

Info

ID:	123055
PubChem CID:	50831610
Reduced:	SN2O2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	328.169939
ΔH_f, kcal/mol:	12.47
Dipole, Da:	4.92
IP(EA), eV:	-8.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)C=C(O2)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations