Geometry & MOs

Info

ID:	38411
PubChem CID:	8035907
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	377.226274
ΔH_f, kcal/mol:	37.49
Dipole, Da:	4.69
IP(EA), eV:	-9.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(1-adamantyl)phenyl]sulfonylamino]propyl-dimethylazanium

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CC=C2)C(=O)C3=CN=CC=C3

DOS

IR

Vibrations