Geometry & MOs

Info

ID:	217943
PubChem CID:	85088628
Reduced:	NSiO4C23H31 (1)
Stoich.:	ABC4D23E31 (1)
Weight, g/mol:	413.161853
ΔH_f, kcal/mol:	-167.65
Dipole, Da:	4.71
IP(EA), eV:	-8.38(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-chloro-2-[dimethylamino(methyl)amino]pyridin-4-yl]-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(C1C(C(=O)N1C2=CC=C(C=C2)OC)O)C3=CC=CC=C3

DOS

IR

Vibrations