Geometry & MOs

Info

ID:	247814
PubChem CID:	103074855
Reduced:	NOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	-63.04
Dipole, Da:	0.87
IP(EA), eV:	-9.4(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(triazol-1-yl)ethylamino]methyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1CC(CC(C1)OCC(=C)CN)C

DOS

IR

Vibrations