Geometry & MOs

Info

ID:	345920
PubChem CID:	127270220
Reduced:	FON7C16H22 (1)
Stoich.:	ABC7D16E22 (1)
Weight, g/mol:	358.191738
ΔH_f, kcal/mol:	-8.09
Dipole, Da:	5.5
IP(EA), eV:	-9.07(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)CN2CCC(C2)NC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations