Geometry & MOs

Info

ID:	233514
PubChem CID:	91145137
Reduced:	NO2C7H16 (2)
Stoich.:	AB2C7D16 (2)
Weight, g/mol:	428.123303
ΔH_f, kcal/mol:	-224.97
Dipole, Da:	2.81
IP(EA), eV:	-9.11(1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbamoyl 4-[4-(3-anilino-1,2,4-triazin-6-yl)phenoxy]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCN(CCCCC(CCO)O)C(CO)(CO)N

DOS

IR

Vibrations