Geometry & MOs

Info

ID:	82830
PubChem CID:	49856623
Reduced:	NO8C23H25 (1)
Stoich.:	AB8C23D25 (1)
Weight, g/mol:	596.24649
ΔH_f, kcal/mol:	-263.46
Dipole, Da:	7.58
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-[[2-dimethylphosphorylethyl(ethyl)amino]methyl]furan-2-yl]-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)OCCOCCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O

DOS

IR

Vibrations