Geometry & MOs

Info

ID:	137327
PubChem CID:	52191474
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	345.165269
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	2.64
IP(EA), eV:	-9.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea

Drug info:

PubChemData

Smile

C1=CC(=O)N(C=C1)CC(=O)NCC2=CC=C(C=C2)O

DOS

IR

Vibrations