Geometry & MOs

Info

ID:	429987
PubChem CID:	135170044
Reduced:	NOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	320.143725
ΔH_f, kcal/mol:	-16.69
Dipole, Da:	2.02
IP(EA), eV:	-8.87(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-4-amine

Drug info:

PubChemData

Smile

C1COC[C@@H](N1)C2CC=CC=C2

DOS

IR

Vibrations