Geometry & MOs

Info

ID:	62258
PubChem CID:	26718654
Reduced:	ON3C13H15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	457.268905
ΔH_f, kcal/mol:	31.12
Dipole, Da:	2.56
IP(EA), eV:	-8.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2,5-dimethylphenyl)-N'-(2-methylpropyl)butanediamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C/C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

DOS

IR

Vibrations