Geometry & MOs

Info

ID:	126645
PubChem CID:	50971314
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-110.25
Dipole, Da:	2.95
IP(EA), eV:	-9.22(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-3-(2,4-dioxopyrimidin-1-yl)-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2[C@H]3[C@@H]([C@@H](N2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations