Geometry & MOs

Info

ID:	202825
PubChem CID:	79731193
Reduced:	IOF2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	2.89
IP(EA), eV:	-9.54(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-aminopropoxy)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(C2=CC(=CC=C2)I)O

DOS

IR

Vibrations