Geometry & MOs

Info

ID:	38936
PubChem CID:	8138197
Reduced:	BrN3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	325.087412
ΔH_f, kcal/mol:	-59.31
Dipole, Da:	3.1
IP(EA), eV:	-9.0(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CCCOC2=CC=C(C=C2)Br

DOS

IR

Vibrations