Geometry & MOs

Info

ID:	142710
PubChem CID:	53079558
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	-140.21
Dipole, Da:	8.57
IP(EA), eV:	-8.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)C2=NC(=C3C=COC3=C2)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations