Geometry & MOs

Info

ID:	191448
PubChem CID:	78148110
Reduced:	ClN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	-143.17
Dipole, Da:	2.02
IP(EA), eV:	-9.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(adamantane-1-carbonyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CCCCC1N2C(=O)CC(=O)N(C2=O)CCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations