Geometry & MOs

Info

ID:	289451
PubChem CID:	104354482
Reduced:	ClNC19H26 (1)
Stoich.:	ABC19D26 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	2.1
IP(EA), eV:	-9.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-methyladamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC12CC3CC(C1)CC(C3)(C2)C(CC4=CC=CC=C4Cl)N

DOS

IR

Vibrations