Geometry & MOs

Info

ID:	136421
PubChem CID:	52039358
Reduced:	ON7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	401.148789
ΔH_f, kcal/mol:	74.17
Dipole, Da:	3.45
IP(EA), eV:	-9.15(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-4-(6-pyrazol-1-ylpyrimidin-4-yl)oxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC(=NC=N2)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C#N)C

DOS

IR

Vibrations