Geometry & MOs

Info

ID:	82674
PubChem CID:	49856326
Reduced:	O4N5C32H33 (1)
Stoich.:	A4B5C32D33 (1)
Weight, g/mol:	581.188148
ΔH_f, kcal/mol:	-62.26
Dipole, Da:	10.3
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(=O)NC2=C3C4=CC=CC=C4OC3=C(C=C2)C5=CC=CC6=C5NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations