Geometry & MOs

Info

ID:	363747
PubChem CID:	127313385
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-24.39
Dipole, Da:	7.79
IP(EA), eV:	-8.73(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4)C

DOS

IR

Vibrations