Geometry & MOs

Info

ID:	152624
PubChem CID:	56311610
Reduced:	ON2C21H30 (1)
Stoich.:	AB2C21D30 (1)
Weight, g/mol:	401.267842
ΔH_f, kcal/mol:	17.12
Dipole, Da:	3.94
IP(EA), eV:	-9.08(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)NC(C3CC3)C4CC4

DOS

IR

Vibrations