Geometry & MOs

Info

ID:	258936
PubChem CID:	103157474
Reduced:	ClFNOC14H19 (1)
Stoich.:	ABCDE14F19 (1)
Weight, g/mol:	196.132411
ΔH_f, kcal/mol:	-102.01
Dipole, Da:	2.66
IP(EA), eV:	-8.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=C(C=C(C=C2)Cl)F)O

DOS

IR

Vibrations