Geometry & MOs

Info

ID:	354168
PubChem CID:	127286109
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-45.2
Dipole, Da:	6.0
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=NO2)CN3CCC(CC3)N4CCCC4=O

DOS

IR

Vibrations