Geometry & MOs

Info

ID:	143137
PubChem CID:	53152255
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	3.75
IP(EA), eV:	-8.89(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethoxyphenyl)methyl]-2-methoxypyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2)OC

DOS

IR

Vibrations