Geometry & MOs

Info

ID:	204707
PubChem CID:	79999128
Reduced:	N3C16H25 (1)
Stoich.:	A3B16C25 (1)
Weight, g/mol:	278.235814
ΔH_f, kcal/mol:	-14.06
Dipole, Da:	3.49
IP(EA), eV:	-9.15(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-(3,5-dimethyl-1-adamantyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)NCC4=NC=CN4)C

DOS

IR

Vibrations