Geometry & MOs

Info

ID:	67153
PubChem CID:	46505964
Reduced:	N3O7H19C20 (1)
Stoich.:	A3B7C19D20 (1)
Weight, g/mol:	509.325357
ΔH_f, kcal/mol:	-144.44
Dipole, Da:	8.7
IP(EA), eV:	-8.57(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[[4-(1-adamantyl)benzoyl]amino]-3-methylbutanoyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations