Geometry & MOs

Info

ID:	226115
PubChem CID:	87325787
Reduced:	NOH13C19 (2)
Stoich.:	ABC13D19 (2)
Weight, g/mol:	460.177837
ΔH_f, kcal/mol:	197.76
Dipole, Da:	3.65
IP(EA), eV:	-8.4(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[3-[imidazol-1-yl-[2-(morpholin-4-ylmethyl)phenyl]methyl]phenyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=C(C3=C2C4=CC=CC=C4/C=C\N=N3)OC5=CC=CC=C5)OC6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations