Geometry & MOs

Info

ID:	188433
PubChem CID:	77716897
Reduced:	ClO3N7C25H32 (1)
Stoich.:	AB3C7D25E32 (1)
Weight, g/mol:	431.245188
ΔH_f, kcal/mol:	-99.73
Dipole, Da:	14.12
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N-[1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(N2)CNC3=CC=C(C=C3)C(=N)N)C(CC(=O)N4CCCC4)NCC(=O)O.Cl

DOS

IR

Vibrations