Geometry & MOs

Info

ID:	243294
PubChem CID:	99218231
Reduced:	ClNO3C19H28 (1)
Stoich.:	ABC3D19E28 (1)
Weight, g/mol:	353.175771
ΔH_f, kcal/mol:	-195.46
Dipole, Da:	4.23
IP(EA), eV:	-9.86(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(5R,7R)-3-chloroadamantane-1-carbonyl]amino]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCC1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

DOS

IR

Vibrations