Geometry & MOs

Info

ID:	261407
PubChem CID:	103231281
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-83.63
Dipole, Da:	7.01
IP(EA), eV:	-9.3(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-adamantylamino)-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NCC4=CC=C(S4)C(=O)O

DOS

IR

Vibrations