Geometry & MOs

Info

ID:	445777
PubChem CID:	135269469
Reduced:	O2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	425.255753
ΔH_f, kcal/mol:	-44.09
Dipole, Da:	3.42
IP(EA), eV:	-9.14(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-7-(5-chloro-2-methylheptyl)-8-ethoxy-3-ethyl-6-iminopurin-2-one

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/C/C=C/C(C)(OO)OO)/C)C

DOS

IR

Vibrations