Geometry & MOs

Info

ID:	143138
PubChem CID:	53152256
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-97.01
Dipole, Da:	6.42
IP(EA), eV:	-8.91(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations