Geometry & MOs

Info

ID:	370740
PubChem CID:	127340095
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-91.65
Dipole, Da:	5.3
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1,3-benzoxazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations