Geometry & MOs

Info

ID:	155376
PubChem CID:	56352998
Reduced:	ClO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	360.277678
ΔH_f, kcal/mol:	11.15
Dipole, Da:	1.25
IP(EA), eV:	-8.75(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-adamantyl-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)C1CC(=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)Cl

DOS

IR

Vibrations