Geometry & MOs

Info

ID:	38873
PubChem CID:	8138091
Reduced:	FSN4O4H15C18 (1)
Stoich.:	ABC4D4E15F18 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-103.88
Dipole, Da:	6.69
IP(EA), eV:	-8.88(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-butoxybenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations