Geometry & MOs

Info

ID:	152489
PubChem CID:	56311426
Reduced:	ClO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	499.315855
ΔH_f, kcal/mol:	-45.66
Dipole, Da:	3.84
IP(EA), eV:	-8.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=C(C=C1)Cl)N2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations