Geometry & MOs

Info

ID:	133943
PubChem CID:	51617695
Reduced:	N2O2C16H25 (1)
Stoich.:	A2B2C16D25 (1)
Weight, g/mol:	193.170474
ΔH_f, kcal/mol:	-17.61
Dipole, Da:	0.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.931933
Charge, e:	1

Chem-info

IUPAC name:

1-[(2S)-1-pyrrolidin-1-ium-1-ylbut-3-yn-2-yl]pyrrolidine

Drug info:

PubChemData

Smile

C/C=C/C1=CC(=C(C=C1)OCCN2CC[NH2+]CC2)OC

DOS

IR

Vibrations