Geometry & MOs

Info

ID:	169695
PubChem CID:	75138222
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	460.247441
ΔH_f, kcal/mol:	-91.05
Dipole, Da:	4.72
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-tert-butylphenyl)methyl]-1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)C=CC(=O)NC3=CC(=CC=C3)OCC(=O)N4CCCC4

DOS

IR

Vibrations