Geometry & MOs

Info

ID:	125778
PubChem CID:	50937837
Reduced:	N2O4C16H27 (1)
Stoich.:	A2B4C16D27 (1)
Weight, g/mol:	344.216044
ΔH_f, kcal/mol:	-156.55
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752640
Charge, e:	1

Chem-info

IUPAC name:

1-[(1R,5R)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(2,3-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)NCC[NH+]3CCOCC3

DOS

IR

Vibrations