Geometry & MOs

Info

ID:	190142
PubChem CID:	77959931
Reduced:	ON2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-82.39
Dipole, Da:	3.64
IP(EA), eV:	-9.21(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC2CN(CC2C1)C(=O)NC(C)C

DOS

IR

Vibrations