Geometry & MOs

Info

ID:	446614
PubChem CID:	135276390
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	394.24811
ΔH_f, kcal/mol:	-38.5
Dipole, Da:	4.02
IP(EA), eV:	-8.99(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(2-methanimidoyl-4-methyl-5-piperidin-4-ylanilino)-2-methylpyrimidin-4-yl]amino]cyclobutan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=O)C(C)(C)NC

DOS

IR

Vibrations