Geometry & MOs

Info

ID:	66117
PubChem CID:	46493556
Reduced:	O2N3C30H31 (1)
Stoich.:	A2B3C30D31 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	10.37
Dipole, Da:	4.34
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNC(=O)CCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations