Geometry & MOs

Info

ID:	79750
PubChem CID:	49830253
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-2.14
Dipole, Da:	4.18
IP(EA), eV:	-8.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-benzyl-2-N-(cyclohexylmethyl)-8-methoxyquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2N1C3=NC4=C(C=CC=C4OCCO)C(=N3)NCC5=CC=CC=C5

DOS

IR

Vibrations