Geometry & MOs

Info

ID:	156007
PubChem CID:	56368739
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	458.177647
ΔH_f, kcal/mol:	-153.41
Dipole, Da:	0.89
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[2-benzyl-5-(2-methylphenyl)pyrazol-3-yl]-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)C(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations