Geometry & MOs

Info

ID:	244976
PubChem CID:	99431918
Reduced:	N4O5C27H30 (1)
Stoich.:	A4B5C27D30 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	-162.92
Dipole, Da:	6.55
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(2-indol-1-ylacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCC(=O)N5)C(=O)N

DOS

IR

Vibrations