Geometry & MOs

Info

ID:	126158
PubChem CID:	50953975
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-124.84
Dipole, Da:	2.71
IP(EA), eV:	-8.68(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCN(C)C(=O)C2=CC3=C(C=C2)NC(=O)CO3

DOS

IR

Vibrations