Geometry & MOs

Info

ID:	317706
PubChem CID:	126645211
Reduced:	O2F3N3C25H28 (1)
Stoich.:	A2B3C3D25E28 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-178.55
Dipole, Da:	7.03
IP(EA), eV:	-8.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1-cyclopropylpyrazol-4-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C)CC1=CN(C2=C1C=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)N4CC(C4)C(=O)OC

DOS

IR

Vibrations