Geometry & MOs

Info

ID:	77514
PubChem CID:	49649884
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	368.081993
ΔH_f, kcal/mol:	-75.01
Dipole, Da:	5.7
IP(EA), eV:	-9.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C(C#N)C(=O)C1CCC1)NC(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations