Geometry & MOs

Info

ID:	255290
PubChem CID:	103131167
Reduced:	S2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	273.220498
ΔH_f, kcal/mol:	39.93
Dipole, Da:	4.04
IP(EA), eV:	-8.36(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-adamantyl)-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CNC(C1CSCCS1)C2=NN(C=C2)C

DOS

IR

Vibrations