Geometry & MOs

Info

ID:	43252
PubChem CID:	10320222
Reduced:	NSiO3C25H35 (1)
Stoich.:	ABC3D25E35 (1)
Weight, g/mol:	425.161853
ΔH_f, kcal/mol:	-150.64
Dipole, Da:	5.53
IP(EA), eV:	-8.68(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chloro-6-methoxypyridin-2-yl)pyrrolidin-3-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)/C(=C/CCCCC(=O)O)/C2=CN=CC=C2

DOS

IR

Vibrations