Geometry & MOs

Info

ID:	362823
PubChem CID:	127309652
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	380.278741
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	1.11
IP(EA), eV:	-8.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexanecarbonyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCN(CC2)C(=O)NCC3CCCN3CCOC

DOS

IR

Vibrations