Geometry & MOs

Info

ID:	237774
PubChem CID:	92721417
Reduced:	N3O4C23H33 (1)
Stoich.:	A3B4C23D33 (1)
Weight, g/mol:	415.247107
ΔH_f, kcal/mol:	-132.66
Dipole, Da:	7.88
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11R)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CCOCCCN1C(=O)C2=CC3=C(N2C[C@@]1(C)C(=O)NC4CCCCCC4)C=CO3

DOS

IR

Vibrations