Geometry & MOs

Info

ID:	32150
PubChem CID:	4266387
Reduced:	N3O5C30H39 (1)
Stoich.:	A3B5C30D39 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-156.85
Dipole, Da:	7.65
IP(EA), eV:	-8.5(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-oxoethyl]-2-phenyl-N-propylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)N(CC(C)C)CC(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CC=C(O3)C

DOS

IR

Vibrations