Geometry & MOs

Info

ID:	324926
PubChem CID:	126678686
Reduced:	N2C21H30 (1)
Stoich.:	A2B21C30 (1)
Weight, g/mol:	474.274324
ΔH_f, kcal/mol:	20.85
Dipole, Da:	0.56
IP(EA), eV:	-7.66(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(morpholin-4-ylmethyl)-7-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]-4H-imidazo[2,1-c][1,4]benzoxazine

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1/C(=C/NC2=CC(CC=C2CC)CC)/N

DOS

IR

Vibrations