Geometry & MOs

Info

ID:	382490
PubChem CID:	134973689
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	74.69
Dipole, Da:	10.6
IP(EA), eV:	-8.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)imino-4-(2-methylpropyl)-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-c][1,4]oxazin-1-one

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=NC2=CC=C(C=C2)OC)N3C(=NN=N3)C4N1CCC4

DOS

IR

Vibrations