Geometry & MOs

Info

ID:	395828
PubChem CID:	135026664
Reduced:	FO5H27C29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	377.177964
ΔH_f, kcal/mol:	-181.6
Dipole, Da:	4.32
IP(EA), eV:	-9.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,14R)-16,19-dimethyl-10-phenyl-21-oxa-9-azapentacyclo[12.6.1.02,12.03,8.015,20]henicosa-3,5,7,9,11,15,17,19-octaene

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OC(C)C(C)OC(=O)/C(=C/C3=CC=CC=C3)/F

DOS

IR

Vibrations