Geometry & MOs

Info

ID:	361438
PubChem CID:	127303417
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	379.283492
ΔH_f, kcal/mol:	-170.2
Dipole, Da:	5.01
IP(EA), eV:	-8.89(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)CCC3CCCCO3

DOS

IR

Vibrations