Geometry & MOs

Info

ID:	345918
PubChem CID:	127270218
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	319.155686
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	3.5
IP(EA), eV:	-9.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[1-[(1-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)C(=O)N)N2CC3=CC=CC=C3C4=CC=CC=C4C2

DOS

IR

Vibrations