Geometry & MOs

Info

ID:	187181
PubChem CID:	77540729
Reduced:	ClFN3O4H17C18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	550.25898
ΔH_f, kcal/mol:	-151.62
Dipole, Da:	5.31
IP(EA), eV:	-9.58(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3,4-dihydro-2H-pyrrol-5-ylamino)cyclohexyl]amino]-N-(2-methoxycyclohexyl)-6-methylquinazoline-2-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

COC1C(=O)N(C(=O)N(N1)C2=C(C=C(C=C2)F)CO)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations