Geometry & MOs

Info

ID:	435655
PubChem CID:	135192077
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	378.112819
ΔH_f, kcal/mol:	-106.31
Dipole, Da:	4.63
IP(EA), eV:	-8.72(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-fluorophenyl)methyl]-N-(4-oxo-5H-1,5-benzoxazepin-3-ylidene)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C(=N/NC)/OC=O)N(C)C=O

DOS

IR

Vibrations