Geometry & MOs

Info

ID:	122321
PubChem CID:	50802494
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	-115.91
Dipole, Da:	4.54
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-methoxyphenyl)-2-phenylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

COCCNC(=O)CN1C2=CC=CC=C2N(C(=O)C1=O)CC=C

DOS

IR

Vibrations