Geometry & MOs

Info

ID:	183717
PubChem CID:	77061428
Reduced:	ON6C10H18 (1)
Stoich.:	AB6C10D18 (1)
Weight, g/mol:	270.122909
ΔH_f, kcal/mol:	0.14
Dipole, Da:	7.51
IP(EA), eV:	-9.04(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-[2-(1H-imidazol-5-yl)ethylamino]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1C(C(NN1)C(=O)NCCC2=CN=CN2)N

DOS

IR

Vibrations