Geometry & MOs

Info

ID:	38439
PubChem CID:	8061470
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	35.86
Dipole, Da:	2.8
IP(EA), eV:	-9.31(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations