Geometry & MOs

Info

ID:	138129
PubChem CID:	52316514
Reduced:	FN2O4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	391.190734
ΔH_f, kcal/mol:	-87.67
Dipole, Da:	4.79
IP(EA), eV:	-8.71(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations