Geometry & MOs

Info

ID:	351487
PubChem CID:	127280375
Reduced:	O3N4C19H32 (1)
Stoich.:	A3B4C19D32 (1)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-157.15
Dipole, Da:	4.42
IP(EA), eV:	-9.12(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations