Geometry & MOs

Info

ID:	72871
PubChem CID:	48416635
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	415.177503
ΔH_f, kcal/mol:	-83.12
Dipole, Da:	2.81
IP(EA), eV:	-9.4(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32)N4CCNC4=O

DOS

IR

Vibrations