Geometry & MOs

Info

ID:	348418
PubChem CID:	127273519
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-59.68
Dipole, Da:	4.58
IP(EA), eV:	-8.47(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[(3-oxo-4H-1,4-benzoxazin-7-yl)amino]butan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C=C2)C(=O)N3CCC(CC3)N4CCNC4=O

DOS

IR

Vibrations