Geometry & MOs

Info

ID:	344407
PubChem CID:	127267583
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	395.257277
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	4.76
IP(EA), eV:	-9.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(adamantane-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)NC(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations