Geometry & MOs

Info

ID:	75717
PubChem CID:	48423892
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-92.93
Dipole, Da:	3.67
IP(EA), eV:	-9.12(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)OCC#N

DOS

IR

Vibrations