Geometry & MOs

Info

ID:	354717
PubChem CID:	127287416
Reduced:	SO2N3C14H25 (1)
Stoich.:	AB2C3D14E25 (1)
Weight, g/mol:	393.310376
ΔH_f, kcal/mol:	-116.8
Dipole, Da:	2.67
IP(EA), eV:	-8.8(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NCC2CCN(CC2)C(=O)C

DOS

IR

Vibrations