Geometry & MOs

Info

ID:	176652
PubChem CID:	76079396
Reduced:	C5H7 (4)
Stoich.:	A5B7 (4)
Weight, g/mol:	365.161853
ΔH_f, kcal/mol:	134.99
Dipole, Da:	1.96
IP(EA), eV:	-7.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[(4-chlorophenoxy)methyl]-7,7-diethyl-1,2,3,4a,8,8a-hexahydropteridin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CC2=CCC3C(CCCC3(C2C#C1)C)(C)C

DOS

IR

Vibrations