Geometry & MOs

Info

ID:	152325
PubChem CID:	56311238
Reduced:	FN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	401.267842
ΔH_f, kcal/mol:	-97.27
Dipole, Da:	3.51
IP(EA), eV:	-8.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=CC(=CC=C3)F

DOS

IR

Vibrations