Geometry & MOs

Info

ID:	84357
PubChem CID:	49865986
Reduced:	ON2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	333.072091
ΔH_f, kcal/mol:	-25.91
Dipole, Da:	4.56
IP(EA), eV:	-9.08(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dichlorothiophen-2-yl)-[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=C2C=CC(=NC2=CC=C1)C(=O)C3(CCNC3)CCC(C)(C)C

DOS

IR

Vibrations