Geometry & MOs

Info

ID:	192883
PubChem CID:	78321976
Reduced:	ClON5H16C17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	602.220845
ΔH_f, kcal/mol:	96.54
Dipole, Da:	4.93
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7,8-dihydropyrimido[5,4-g][1,4]benzoxazin-6-yl]-4-(4-methylpiperazin-1-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCC4=NON=C4C3)C

DOS

IR

Vibrations