Geometry & MOs

Info

ID:	255630
PubChem CID:	103133584
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-15.06
Dipole, Da:	5.62
IP(EA), eV:	-9.23(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-1,4-benzoxazin-8-yl-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(CCCC(=O)C1=NN(C=C1)C)N

DOS

IR

Vibrations