Geometry & MOs

Info

ID:	351617
PubChem CID:	127280509
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-84.04
Dipole, Da:	5.66
IP(EA), eV:	-9.23(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations