Geometry & MOs

Info

ID:	330659
PubChem CID:	127248066
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-65.82
Dipole, Da:	4.64
IP(EA), eV:	-8.45(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2(CCN(C2)C(=O)C3=CC4=C(S3)CCC4)O

DOS

IR

Vibrations