Geometry & MOs

Info

ID:	141072
PubChem CID:	52813447
Reduced:	O4N5C23H23 (1)
Stoich.:	A4B5C23D23 (1)
Weight, g/mol:	419.105211
ΔH_f, kcal/mol:	-11.59
Dipole, Da:	7.11
IP(EA), eV:	-9.11(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-methyl-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NNC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations