Geometry & MOs

Info

ID:	234192
PubChem CID:	92297898
Reduced:	SN6O6C31H36 (1)
Stoich.:	AB6C6D31E36 (1)
Weight, g/mol:	346.081438
ΔH_f, kcal/mol:	-160.69
Dipole, Da:	4.26
IP(EA), eV:	-8.52(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[(E)-1-cyano-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=NSC(=C2N)C(=O)N(C3=CC4=C(C=C3)OCCO4)[C@@H](C5=CC=NC=C5)C(=O)NC[C@H]6CCCO6

DOS

IR

Vibrations