Geometry & MOs

Info

ID:	426871
PubChem CID:	135154282
Reduced:	ClON6C16H17 (1)
Stoich.:	ABC6D16E17 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	47.45
Dipole, Da:	6.13
IP(EA), eV:	-8.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[3-[3-(cyclopentylmethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)Cl)N3C=C(C=N3)CO)NC

DOS

IR

Vibrations