Geometry & MOs

Info

ID:	426512
PubChem CID:	135144564
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	323.148121
ΔH_f, kcal/mol:	-175.06
Dipole, Da:	5.63
IP(EA), eV:	-9.16(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C(CN1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCCC3)O)O

DOS

IR

Vibrations