Geometry & MOs

Info

ID:	330625
PubChem CID:	127248032
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	322.171499
ΔH_f, kcal/mol:	-69.52
Dipole, Da:	3.83
IP(EA), eV:	-8.38(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2(CCN(C2)C(=O)CCC3=CNC4=CC=CC=C43)O

DOS

IR

Vibrations