Geometry & MOs

Info

ID:	81881
PubChem CID:	49855297
Reduced:	ClOSN4C20H27 (1)
Stoich.:	ABCD4E20F27 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-12.07
Dipole, Da:	8.62
IP(EA), eV:	-8.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4E)-4-ethylidene-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)SCCCN2CCN(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations