Geometry & MOs

Info

ID:	374166
PubChem CID:	131324752
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	3.76
IP(EA), eV:	-8.84(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CN1CCCC(C1)OC2(CCNCC2)C#N

DOS

IR

Vibrations