Geometry & MOs

Info

ID:	255895
PubChem CID:	103135471
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	287.236148
ΔH_f, kcal/mol:	65.39
Dipole, Da:	2.82
IP(EA), eV:	-8.28(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-adamantyl)-1-(1-methylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC=C(C=C2)SC)N

DOS

IR

Vibrations