Geometry & MOs

Info

ID:	345919
PubChem CID:	127270219
Reduced:	FON7C14H18 (1)
Stoich.:	ABC7D14E18 (1)
Weight, g/mol:	347.186987
ΔH_f, kcal/mol:	9.5
Dipole, Da:	6.57
IP(EA), eV:	-9.14(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CN1C(=NN=N1)CN2CCC(C2)NC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations