Geometry & MOs

Info

ID:	55475
PubChem CID:	17395438
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	355.099063
ΔH_f, kcal/mol:	-52.07
Dipole, Da:	6.72
IP(EA), eV:	-9.2(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

CCCN(CC1CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations