Geometry & MOs

Info

ID:	291390
PubChem CID:	112285083
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	451.07323
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	2.05
IP(EA), eV:	-9.11(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]azepane-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CC(C(=O)NCCCC(C)(C)CO)N1CCC2=CC=CC=C2C1

DOS

IR

Vibrations