Geometry & MOs

Info

ID:	411451
PubChem CID:	135084282
Reduced:	N2O4C10H15 (1)
Stoich.:	A2B4C10D15 (1)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	-117.39
Dipole, Da:	6.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759716
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R,3R)-3-phenyloxiran-2-yl]methyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(\C)/C(=C(\O)/OCC)/[N+]#N

DOS

IR

Vibrations