Geometry & MOs

Info

ID:	213498
PubChem CID:	81063920
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	297.132471
ΔH_f, kcal/mol:	-175.47
Dipole, Da:	4.23
IP(EA), eV:	-9.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1C(OC2=C1C=CC=C2C(=O)NCC(C)CC(=O)O)C

DOS

IR

Vibrations