Geometry & MOs

Info

ID:	190138
PubChem CID:	77959927
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	412.189926
ΔH_f, kcal/mol:	1.01
Dipole, Da:	10.07
IP(EA), eV:	-7.77(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C2C1C=C3C(=CC(=O)N(C3=C2OC)C)C

DOS

IR

Vibrations