Geometry & MOs

Info

ID:	425762
PubChem CID:	135127886
Reduced:	F4N4H16C25 (1)
Stoich.:	A4B4C16D25 (1)
Weight, g/mol:	370.179361
ΔH_f, kcal/mol:	-46.45
Dipole, Da:	1.91
IP(EA), eV:	-8.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4H-azepin-6-yl)-N-(3,4-dimethylphenyl)-6-methoxyquinazolin-4-amine

Drug info:

PubChemData

Smile

C1C(=CC=CN1)C2=NC3=C(C=C(C=C3)C4=C(C(=CC=C4)F)F)C(=N2)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations