Geometry & MOs

Info

ID:	327467
PubChem CID:	126689999
Reduced:	ClFO2N6C29H36 (1)
Stoich.:	ABC2D6E29F36 (1)
Weight, g/mol:	468.220451
ΔH_f, kcal/mol:	-13.74
Dipole, Da:	10.53
IP(EA), eV:	-8.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-4-fluorophenyl)-7-N-[2-(7-methyl-7-azaspiro[3.5]nonan-2-yl)ethyl]quinazoline-4,6,7-triamine

Drug info:

PubChemData

Smile

CN=C(C1=CC(=C(C=C1N=C)OCCC2C3C2CN(C3)C)NC(=O)/C=C/CN(C)C)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations