Geometry & MOs

Info

ID:	218090
PubChem CID:	85088853
Reduced:	NO4C26H37 (1)
Stoich.:	AB4C26D37 (1)
Weight, g/mol:	427.177503
ΔH_f, kcal/mol:	-116.54
Dipole, Da:	4.33
IP(EA), eV:	-8.2(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC23C4C5(CCC2(C1CC6=C3C(=C(C=C6)OC)O4)CC5C(C)(C)O)OC

DOS

IR

Vibrations