Geometry & MOs

Info

ID:	270035
PubChem CID:	103623644
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	418.03089
ΔH_f, kcal/mol:	-24.79
Dipole, Da:	3.62
IP(EA), eV:	-9.31(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-iodophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(CC1=CC=NC=C1)C(=O)C2=CC3=C(C=C2)NC(=O)C3

DOS

IR

Vibrations