Geometry & MOs

Info

ID:	248893
PubChem CID:	103085313
Reduced:	SN5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	289.226646
ΔH_f, kcal/mol:	97.45
Dipole, Da:	5.86
IP(EA), eV:	-8.95(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=C(C=C2)SC)N

DOS

IR

Vibrations