Geometry & MOs

Info

ID:	134364
PubChem CID:	51686107
Reduced:	SN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	349.227989
ΔH_f, kcal/mol:	-37.69
Dipole, Da:	3.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752739
Charge, e:	1

Chem-info

IUPAC name:

[2-(benzhydrylamino)-2-oxoethyl]-[2-(cyclohexen-1-yl)ethyl]azanium

Drug info:

PubChemData

Smile

C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(=O)CNCC3=CC=CS3

DOS

IR

Vibrations