Geometry & MOs

Info

ID:	324931
PubChem CID:	126678743
Reduced:	FO2N5C28H34 (1)
Stoich.:	AB2C5D28E34 (1)
Weight, g/mol:	459.263425
ΔH_f, kcal/mol:	-50.44
Dipole, Da:	7.36
IP(EA), eV:	-8.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=CC(=C(C=C2)C3=CC4=C(C=C3)N5C=C(N=C5CO4)CN6CCOCC6)F

DOS

IR

Vibrations