Geometry & MOs

Info

ID:	46029
PubChem CID:	10520605
Reduced:	ClSN4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	333.111341
ΔH_f, kcal/mol:	46.16
Dipole, Da:	7.5
IP(EA), eV:	-8.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)N)CCNC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations