Geometry & MOs

Info

ID:	155958
PubChem CID:	56368482
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-57.05
Dipole, Da:	2.22
IP(EA), eV:	-8.88(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-benzyl-5-(2-methylphenyl)pyrazol-3-yl]-4-ethoxybutanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=C2)NC(=O)C(C)OCC3CCCO3)CC4=CC=CC=C4

DOS

IR

Vibrations