Geometry & MOs

Info

ID:	350772
PubChem CID:	127279060
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	226.087291
ΔH_f, kcal/mol:	-91.09
Dipole, Da:	8.31
IP(EA), eV:	-9.01(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1H-pyrrol-2-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCCC3(C)C

DOS

IR

Vibrations