Geometry & MOs

Info

ID:	35164
PubChem CID:	7979407
Reduced:	ClN2O4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	271.041548
ΔH_f, kcal/mol:	-119.16
Dipole, Da:	4.32
IP(EA), eV:	-8.43(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-cyanobenzoyl)thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)OC[C@@H](CN2CCN(CC2)CC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations