Geometry & MOs

Info

ID:	309197
PubChem CID:	126540004
Reduced:	NF3C10H18 (1)
Stoich.:	AB3C10D18 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-192.6
Dipole, Da:	4.75
IP(EA), eV:	-9.27(1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-[4-(azetidin-3-yloxymethyl)phenyl]ethylamino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one

Drug info:

PubChemData

Smile

CC(C)C1(CCN(C1)CC(F)(F)F)C

DOS

IR

Vibrations