Geometry & MOs

Info

ID:	158632
PubChem CID:	56464349
Reduced:	OSN5C23H29 (1)
Stoich.:	ABC5D23E29 (1)
Weight, g/mol:	381.278013
ΔH_f, kcal/mol:	17.58
Dipole, Da:	2.84
IP(EA), eV:	-8.57(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]adamantane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4

DOS

IR

Vibrations