Geometry & MOs

Info

ID:	233119
PubChem CID:	87692430
Reduced:	ClO3N5H20C22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	383.148121
ΔH_f, kcal/mol:	16.5
Dipole, Da:	10.7
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NC=C1)NC(=O)ONC2=CC(=C(C=C2)OC3=CC(=NC=C3)C#N)Cl

DOS

IR

Vibrations