Geometry & MOs

Info

ID:	175450
PubChem CID:	75907219
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	442.294391
ΔH_f, kcal/mol:	-23.04
Dipole, Da:	3.62
IP(EA), eV:	-8.93(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C#CC1=CC(=CC=C1)NC(=O)CNC(=O)NCC(C2=CC=CO2)N3CCCC3

DOS

IR

Vibrations