Geometry & MOs

Info

ID:	148731
PubChem CID:	53788400
Reduced:	N2F3H5C8 (1)
Stoich.:	A2B3C5D8 (1)
Weight, g/mol:	294.132805
ΔH_f, kcal/mol:	-83.1
Dipole, Da:	6.74
IP(EA), eV:	-9.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[N'-[(3-methoxyphenyl)carbamoyl]carbamimidoyl]-methylamino]acetate

Drug info:

PubChemData

Smile

CN1C=NC2=C(C(=C(C=C21)F)F)F

DOS

IR

Vibrations