Geometry & MOs

Info

ID:	360425
PubChem CID:	127301070
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	9.23
Dipole, Da:	3.25
IP(EA), eV:	-8.24(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

DOS

IR

Vibrations