Geometry & MOs

Info

ID:	261876
PubChem CID:	103256565
Reduced:	BrClNO3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	-73.04
Dipole, Da:	6.05
IP(EA), eV:	-8.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopropyl-2-[(3,5-dimethyl-1-adamantyl)amino]acetate

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C(=O)O)NC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations