Geometry & MOs

Info

ID:	312215
PubChem CID:	126603630
Reduced:	ON7C21H27 (1)
Stoich.:	AB7C21D27 (1)
Weight, g/mol:	419.24673
ΔH_f, kcal/mol:	59.07
Dipole, Da:	4.4
IP(EA), eV:	-8.25(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-2-cyclohexyl-1,3-thiazol-4-yl)-[[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]amino]methanol

Drug info:

PubChemData

Smile

C/C(=C\N(C)N=C)/NC(=O)C1=C(C=CC(=N1)C2=CC(=CC=C2)N3CCNCC3)N

DOS

IR

Vibrations