Geometry & MOs

Info

ID:	74851
PubChem CID:	48422588
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	296.209993
ΔH_f, kcal/mol:	-173.68
Dipole, Da:	2.39
IP(EA), eV:	-9.4(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(cyclopropylmethoxy)propanoyl]piperazin-1-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations