Geometry & MOs

Info

ID:	343460
PubChem CID:	127266633
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	305.11757
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	2.66
IP(EA), eV:	-9.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-fluoro-4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NNC(=O)OC(C)C

DOS

IR

Vibrations