Geometry & MOs

Info

ID:	156939
PubChem CID:	56394917
Reduced:	O4N6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	479.093122
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	9.69
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=CC(=C(C=C3)OC)N4C(=NN=N4)C

DOS

IR

Vibrations