Geometry & MOs

Info

ID:	186474
PubChem CID:	77438651
Reduced:	NF3O4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	180.101111
ΔH_f, kcal/mol:	-321.51
Dipole, Da:	2.93
IP(EA), eV:	-10.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-imidazol-5-ylmethyl)azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(F)(F)F)C(C(=O)O)NC(=O)O

DOS

IR

Vibrations