Geometry & MOs

Info

ID:	327473
PubChem CID:	126690033
Reduced:	FCl2O2N5C26H28 (1)
Stoich.:	AB2C2D5E26F28 (1)
Weight, g/mol:	396.115317
ΔH_f, kcal/mol:	-60.22
Dipole, Da:	2.85
IP(EA), eV:	-8.84(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-4-fluorophenyl)-7-(1-tricyclo[3.1.0.02,6]hexanylmethoxy)quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CC1CN(CC1CCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)/C=C/CCl)C

DOS

IR

Vibrations