Geometry & MOs

Info

ID:	264813
PubChem CID:	103492923
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	299.128821
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	3.7
IP(EA), eV:	-9.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(adamantane-1-carbonylamino)-2-chloropropanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)NCC(C(=O)OC)Cl

DOS

IR

Vibrations