Geometry & MOs

Info

ID:	137441
PubChem CID:	52208765
Reduced:	O2N3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-77.07
Dipole, Da:	6.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756427
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-4-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCN(C1=CCCC1)C(=O)C[NH+]2CCC(CC2)C(=O)NC

DOS

IR

Vibrations