Geometry & MOs

Info

ID:	304597
PubChem CID:	124756435
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-95.38
Dipole, Da:	5.48
IP(EA), eV:	-9.28(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,6S,8S,9R,10S)-9-hydroxy-6-methyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C[C@H]2CC(=O)N(C2)CCOC)Cl

DOS

IR

Vibrations