Geometry & MOs

Info

ID:	38327
PubChem CID:	8030478
Reduced:	N5C18H24 (1)
Stoich.:	A5B18C24 (1)
Weight, g/mol:	387.08735
ΔH_f, kcal/mol:	72.06
Dipole, Da:	2.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.032228
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-2-ethyl-1,4-benzoxazepine-3,5-dione

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=[N+](C=N2)CCN(C)C)N)C3=CC=CC=C3)C

DOS

IR

Vibrations