Geometry & MOs

Info

ID:	330619
PubChem CID:	127248026
Reduced:	FO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-103.93
Dipole, Da:	3.84
IP(EA), eV:	-8.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)F)C=C1C(=O)N3CCC(C3)(CN4CCCC4)O

DOS

IR

Vibrations