Geometry & MOs

Info

ID:	173481
PubChem CID:	75643005
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-38.73
Dipole, Da:	5.49
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-tert-butylbenzoyl)hydrazinyl]-N-(furan-2-ylmethyl)but-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)NCC1=CC=CO1)NNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations