Geometry & MOs

Info

ID:	72881
PubChem CID:	48416645
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	347.159354
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	7.72
IP(EA), eV:	-8.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NN(C=C2C(=O)N3CCCC(C3)N4CCNC4=O)C5=CC=CC=C5

DOS

IR

Vibrations