Geometry & MOs

Info

ID:	399015
PubChem CID:	135037055
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	255.110673
ΔH_f, kcal/mol:	-183.11
Dipole, Da:	4.61
IP(EA), eV:	-10.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxa-3-azatetracyclo[8.6.0.02,6.011,15]hexadec-2-ene

Drug info:

PubChemData

Smile

CC1([C@@H]2[C@H]([C@@H](N1)C(=O)O)C(=O)N(C2=O)C)C

DOS

IR

Vibrations