Geometry & MOs

Info

ID:	188434
PubChem CID:	77717052
Reduced:	ClON5C23H34 (1)
Stoich.:	ABC5D23E34 (1)
Weight, g/mol:	411.134282
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	6.89
IP(EA), eV:	-8.65(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(fluoromethyl)-6,7-dimethoxyquinazolin-2-yl]amino]-5-methoxy-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)NC(=O)C2CCC(CC2)NC3=NC=C(C(=N3)N(C)C)C.Cl

DOS

IR

Vibrations