Geometry & MOs

Info

ID:	366627
PubChem CID:	127320156
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	376.227454
ΔH_f, kcal/mol:	-3.65
Dipole, Da:	5.0
IP(EA), eV:	-9.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(azepan-1-yl)propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=C2N1C=CC=C2)NC(=O)C(C)N3CCCCCC3

DOS

IR

Vibrations