Geometry & MOs

Info

ID:	143139
PubChem CID:	53152257
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	289.088498
ΔH_f, kcal/mol:	-89.69
Dipole, Da:	6.75
IP(EA), eV:	-8.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)C2=CN=C(N=C2)OC)OC

DOS

IR

Vibrations