Geometry & MOs

Info

ID:	306088
PubChem CID:	125001622
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	1.32
Dipole, Da:	4.64
IP(EA), eV:	-8.21(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N)[C@@H]2CCCN2C(=O)C3=CC=C(C=C3)N4CCCC4

DOS

IR

Vibrations