Geometry & MOs

Info

ID:	187182
PubChem CID:	77541066
Reduced:	Cl2O2N6C27H40 (1)
Stoich.:	A2B2C6D27E40 (1)
Weight, g/mol:	524.168114
ΔH_f, kcal/mol:	-119.86
Dipole, Da:	6.57
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(1-amino-3-hydroxypropylidene)amino]cyclohexyl]amino]-6-methyl-N-(2,2,2-trifluoroethyl)quinazoline-2-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N=C2NC3CCCCC3NC4=NCCC4)C(=O)NC5CCCCC5OC.Cl.Cl

DOS

IR

Vibrations