Geometry & MOs

Info

ID:	270234
PubChem CID:	103635558
Reduced:	OF2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-56.8
Dipole, Da:	1.94
IP(EA), eV:	-9.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cycloheptylamino)ethyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNCC2=C(C=CC=C2F)F

DOS

IR

Vibrations