Geometry & MOs

Info

ID:	49761
PubChem CID:	11533737
Reduced:	O2N7C29H43 (1)
Stoich.:	A2B7C29D43 (1)
Weight, g/mol:	521.162995
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	5.4
IP(EA), eV:	-8.47(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-[3-chloro-4-[(4-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol

Drug info:

PubChemData

Smile

CCC(CC)N(CCO)C1CCC(CC1)NCC2=CC=C(C=C2)C(=O)N(CC3=NC=CN3)CC4=NC=CN4

DOS

IR

Vibrations