Geometry & MOs

Info

ID:	341016
PubChem CID:	127263451
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	-108.14
Dipole, Da:	3.03
IP(EA), eV:	-8.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(pyrimidin-2-ylmethylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CN=C(C=N1)N2CCOCC2

DOS

IR

Vibrations