Geometry & MOs

Info

ID:

336275

PubChem CID:

127255282

Reduced:

N4O4C18H23 (1)

Stoich.:

A4B4C18D23 (1)

Weight, g/mol:

327.158292

ΔHf, kcal/mol:

-110.25

Dipole, Da:

8.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.810507

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-oxo-4H-1,4-benzoxazin-7-yl)-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=CC3=C(C=C2)N(C(=O)N3C)C)C)C

DOS

IR

Vibrations