Geometry & MOs

Info

ID:	363944
PubChem CID:	127313601
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	240.102941
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	3.74
IP(EA), eV:	-9.04(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1H-pyrrol-2-yl)-(3,3-dimethylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)C(=O)N3CCCC(C3)(C)C)C

DOS

IR

Vibrations