Geometry & MOs

Info

ID:	197128
PubChem CID:	78925716
Reduced:	FNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-163.32
Dipole, Da:	2.51
IP(EA), eV:	-9.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-cyano-5,6-dimethylpyridazin-3-yl)morpholine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N[C@@H](C)C(=O)O)F

DOS

IR

Vibrations