Geometry & MOs

Info

ID:	327464
PubChem CID:	126689990
Reduced:	FIO2N5C26H27 (1)
Stoich.:	ABC2D5E26F27 (1)
Weight, g/mol:	591.11426
ΔH_f, kcal/mol:	-15.1
Dipole, Da:	10.19
IP(EA), eV:	-8.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(iodomethyl)phenyl]-7-[2-(3-methyl-3-azabicyclo[3.2.1]octan-8-yl)ethoxy]-6-nitroquinazolin-4-amine

Drug info:

PubChemData

Smile

CN1C2CCC1C(C2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)CI)NC(=O)C=C

DOS

IR

Vibrations