Geometry & MOs

Info

ID:	309237
PubChem CID:	126540873
Reduced:	N2O6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	558.345758
ΔH_f, kcal/mol:	-211.48
Dipole, Da:	1.63
IP(EA), eV:	-9.08(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5S,6R,14R,16R)-5-isoquinolin-7-yl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(=O)OC)NC(=O)C(=O)OC

DOS

IR

Vibrations