Geometry & MOs

Info

ID:	34245
PubChem CID:	7890461
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	375.160121
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	8.31
IP(EA), eV:	-9.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations