Geometry & MOs

Info

ID:	353008
PubChem CID:	127284129
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-86.62
Dipole, Da:	4.16
IP(EA), eV:	-8.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)NCC3CN(CCO3)CC(C)C

DOS

IR

Vibrations