Geometry & MOs

Info

ID:	306089
PubChem CID:	125001625
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-3.87
Dipole, Da:	5.69
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC=CC=C2C(=O)N3CCN([C@H](C3)C4=CC=CC=C4OC)C)C

DOS

IR

Vibrations