Geometry & MOs

Info

ID:	351453
PubChem CID:	127280341
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-160.01
Dipole, Da:	2.43
IP(EA), eV:	-8.78(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(cyclopropylmethoxy)benzoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations