Geometry & MOs

Info

ID:	426199
PubChem CID:	135142515
Reduced:	O4N5C28H35 (1)
Stoich.:	A4B5C28D35 (1)
Weight, g/mol:	424.258674
ΔH_f, kcal/mol:	-136.67
Dipole, Da:	4.19
IP(EA), eV:	-8.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-7-[[(1S)-1-[4-(1-piperazin-1-ylpropyl)phenyl]ethyl]amino]-4H-pyrimido[4,5-d][1,3]oxazin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1=CC2=C(N1)C=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C

DOS

IR

Vibrations