Geometry & MOs

Info

ID:	274155
PubChem CID:	103807394
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	404.07609
ΔH_f, kcal/mol:	-112.16
Dipole, Da:	1.89
IP(EA), eV:	-9.04(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cycloheptylamino)ethyl]-4-fluoro-2-iodobenzamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NCCNC(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations