Geometry & MOs

Info

ID:	312664
PubChem CID:	126607238
Reduced:	NC8H17 (1)
Stoich.:	AB8C17 (1)
Weight, g/mol:	445.208945
ΔH_f, kcal/mol:	-1.43
Dipole, Da:	1.79
IP(EA), eV:	-9.41(2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,5S)-5-(1H-benzimidazol-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C[C@H](CC(C)C)N1CC1

DOS

IR

Vibrations