Geometry & MOs

Info

ID:	42932
PubChem CID:	10317235
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	373.261694
ΔH_f, kcal/mol:	-29.85
Dipole, Da:	7.35
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1S,2R,3R,7R,11R,14R)-1-methyl-12-oxido-14-propan-2-yl-12-azoniapentacyclo[8.6.0.02,13.03,7.07,11]hexadec-12-en-2-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)NCC(COC1=CC=CC=C1OC2=NN=C(C=C2)NN=C(C)C)O

DOS

IR

Vibrations