Geometry & MOs

Info

ID:	306367
PubChem CID:	125011433
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	440.258754
ΔH_f, kcal/mol:	-37.68
Dipole, Da:	4.1
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,6-dimethyl-2-[(3R)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)N2CCO[C@H](C2)C3=NC(=NC=C3)C

DOS

IR

Vibrations