Geometry & MOs

Info

ID:	173281
PubChem CID:	75617254
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-94.77
Dipole, Da:	3.59
IP(EA), eV:	-9.76(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-2-morpholin-4-yl-6-oxo-5H-pyrimidin-5-yl)-N-(3-phenylprop-2-ynyl)propanamide

Drug info:

PubChemData

Smile

CCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCC=C

DOS

IR

Vibrations