Geometry & MOs

Info

ID:	370741
PubChem CID:	127340096
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-83.41
Dipole, Da:	3.21
IP(EA), eV:	-8.79(-0.43)
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]-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC1C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations