Geometry & MOs

Info

ID:	190140
PubChem CID:	77959929
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	2.3
Dipole, Da:	3.19
IP(EA), eV:	-9.43(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxy-5-ethylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)C4CC4

DOS

IR

Vibrations