Geometry & MOs

Info

ID:	234588
PubChem CID:	92303121
Reduced:	O3N5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	249.209264
ΔH_f, kcal/mol:	4.27
Dipole, Da:	4.97
IP(EA), eV:	-9.27(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1-adamantyl)ethyl]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N=NNN2[C@H]1C3=CC=CC=C3OC)C

DOS

IR

Vibrations