Geometry & MOs

Info

ID:	58894
PubChem CID:	24715061
Reduced:	ION3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	337.103811
ΔH_f, kcal/mol:	-10.05
Dipole, Da:	5.17
IP(EA), eV:	-8.83(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N'-(pyridin-2-ylmethyl)-N-[3-(trifluoromethyl)benzoyl]carbamimidate

Drug info:

PubChemData

Smile

C1CNCCC12NC3=C(C=C(C=C3)I)C(=O)N2

DOS

IR

Vibrations