Geometry & MOs

Info

ID:	324928
PubChem CID:	126678702
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	-7.51
Dipole, Da:	4.67
IP(EA), eV:	-8.08(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine

Drug info:

PubChemData

Smile

C/C=C(\C(=C/C)\SC)/C(=C/N(C1=C(C=CC(=C1)OC)OC)N)/N

DOS

IR

Vibrations