Geometry & MOs

Info

ID:	354611
PubChem CID:	127287228
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	338.231791
ΔH_f, kcal/mol:	-93.63
Dipole, Da:	3.92
IP(EA), eV:	-8.73(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC(C)N(C)C3CC3

DOS

IR

Vibrations