Geometry & MOs

Info

ID:	190139
PubChem CID:	77959928
Reduced:	O2N4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	13.95
Dipole, Da:	4.28
IP(EA), eV:	-9.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopropyl-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)C4=CC=CC=C4

DOS

IR

Vibrations