Geometry & MOs

Info

ID:	420357
PubChem CID:	135112678
Reduced:	Cl2N6O7C33H42 (1)
Stoich.:	A2B6C7D33E42 (1)
Weight, g/mol:	303.219829
ΔH_f, kcal/mol:	-278.35
Dipole, Da:	6.93
IP(EA), eV:	-9.09(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2-ethylphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC(=C(C(=C2)Cl)OC)Cl)C)CC3=CC=CC=C3

DOS

IR

Vibrations