Geometry & MOs

Info

ID:	49742
PubChem CID:	11533709
Reduced:	NSiO6C28H45 (1)
Stoich.:	ABC6D28E45 (1)
Weight, g/mol:	519.08405
ΔH_f, kcal/mol:	-322.29
Dipole, Da:	5.29
IP(EA), eV:	-8.72(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]([C@H](CC1=O)C(=C)CCOCC2=CC=C(C=C2)OC)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations