Geometry & MOs

Info

ID:	362142
PubChem CID:	127305824
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-120.82
Dipole, Da:	6.58
IP(EA), eV:	-9.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)N2CCCC(C2)C(=O)N3CCCC3)C)C#N

DOS

IR

Vibrations