Geometry & MOs

Info

ID:	255792
PubChem CID:	103134768
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	287.236148
ΔH_f, kcal/mol:	-123.21
Dipole, Da:	2.62
IP(EA), eV:	-8.86(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC(=C2)OC)/C(=N/O)/C

DOS

IR

Vibrations