Geometry & MOs

Info

ID:	247971
PubChem CID:	103077821
Reduced:	N5C15H21 (1)
Stoich.:	A5B15C21 (1)
Weight, g/mol:	274.215747
ΔH_f, kcal/mol:	73.94
Dipole, Da:	2.1
IP(EA), eV:	-8.0(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[1-(1-adamantyl)ethyl]-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=CC=CC=C2)C3=NN(C=C3N)C

DOS

IR

Vibrations