Geometry & MOs

Info

ID:	205593
PubChem CID:	80124385
Reduced:	BrNOF2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	295.114319
ΔH_f, kcal/mol:	-87.85
Dipole, Da:	3.21
IP(EA), eV:	-8.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethylphenyl)methylsulfanyl]quinazolin-7-amine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(C2=C(C=C(C=C2F)Br)F)NC

DOS

IR

Vibrations