Geometry & MOs

Info

ID:	413977
PubChem CID:	135086930
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	384.181098
ΔH_f, kcal/mol:	-156.76
Dipole, Da:	4.39
IP(EA), eV:	-9.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1S,2S,14R)-5-(cyclopropylmethyl)-15-methoxy-5-methyl-13,16,17-trioxa-5-azoniahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-11-ol

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC(=O)C1=CC=CC=C1OC

DOS

IR

Vibrations