Geometry & MOs

Info

ID:	383370
PubChem CID:	134975057
Reduced:	O3C42H52 (1)
Stoich.:	A3B42C52 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-74.99
Dipole, Da:	0.42
IP(EA), eV:	-7.98(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,3-dihydro-1H-pyrrol-4-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)CC3=C(C(=CC(=C3)C(C)(C)C)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5C)C2)C(C)(C)C)C(C)(C)C)O)O

DOS

IR

Vibrations