Geometry & MOs

Info

ID:	22096
PubChem CID:	596000
Reduced:	O2C21H28 (1)
Stoich.:	A2B21C28 (1)
Weight, g/mol:	312.20893
ΔH_f, kcal/mol:	-111.48
Dipole, Da:	1.71
IP(EA), eV:	-9.54(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)ethyl 3-phenylpropanoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CCOC(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations