Geometry & MOs

Info

ID:	202624
PubChem CID:	79700915
Reduced:	BrClON2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	296.17002
ΔH_f, kcal/mol:	-38.1
Dipole, Da:	3.71
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-N-(piperidin-4-ylmethyl)-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN(CC1CCNCC1)C(=O)C2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations