Geometry & MOs

Info

ID:	146380
PubChem CID:	53678956
Reduced:	NO2C15H26 (2)
Stoich.:	AB2C15D26 (2)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-218.26
Dipole, Da:	7.03
IP(EA), eV:	-8.44(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-pyrimidin-4-yloxy-5-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC1(CC(CC(N1CC=C)(C)C)C(CCC(=O)OC2CC(N(C(C2)(C)C)CC=C)(C)C)CC(=O)O)C

DOS

IR

Vibrations