Geometry & MOs

Info

ID:	367406
PubChem CID:	127324562
Reduced:	SO3N5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	323.232125
ΔH_f, kcal/mol:	-80.05
Dipole, Da:	6.05
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-4-[2-(ethylamino)-2-oxoethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations