Geometry & MOs

Info

ID:	430007
PubChem CID:	135170064
Reduced:	ClIN2H4C8 (1)
Stoich.:	ABC2D4E8 (1)
Weight, g/mol:	309.164126
ΔH_f, kcal/mol:	81.92
Dipole, Da:	3.67
IP(EA), eV:	-9.78(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-[(3Z)-penta-1,3-dien-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)I)Cl

DOS

IR

Vibrations