Geometry & MOs

Info

ID:	157821
PubChem CID:	56437470
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	429.102624
ΔH_f, kcal/mol:	-98.24
Dipole, Da:	4.09
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC

DOS

IR

Vibrations