Geometry & MOs

Info

ID:	46547
PubChem CID:	10525118
Reduced:	ClO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	401.22339
ΔH_f, kcal/mol:	-53.64
Dipole, Da:	2.07
IP(EA), eV:	-8.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C(CCO)C(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations