Geometry & MOs

Info

ID:	72886
PubChem CID:	48416650
Reduced:	O3N5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	384.154603
ΔH_f, kcal/mol:	-104.26
Dipole, Da:	3.5
IP(EA), eV:	-9.27(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CCCC(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations