Geometry & MOs

Info

ID:	171890
PubChem CID:	75436962
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	297.113171
ΔH_f, kcal/mol:	-56.82
Dipole, Da:	2.8
IP(EA), eV:	-9.7(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1(CCC1)NC(=O)C2=CC(=CN=C2)O

DOS

IR

Vibrations