Geometry & MOs

Info

ID:	219394
PubChem CID:	85148356
Reduced:	N2C33H54 (1)
Stoich.:	A2B33C54 (1)
Weight, g/mol:	480.118745
ΔH_f, kcal/mol:	-39.43
Dipole, Da:	1.52
IP(EA), eV:	-8.5(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]phenyl]-4-methoxypiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N(C)CCCC5=CC=CC=C5)C)C)N(C)C

DOS

IR

Vibrations