Geometry & MOs

Info

ID:	436219
PubChem CID:	135195314
Reduced:	NO3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	423.225702
ΔH_f, kcal/mol:	-266.87
Dipole, Da:	5.15
IP(EA), eV:	-9.94(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(1R,6R,8S)-4,4-dimethyl-12-phenyl-3,5,7,10,13-pentaoxatricyclo[6.6.0.02,6]tetradecan-9-yl]methoxy]ethoxy]ethanamine

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]([C@@H](C(=O)C)NC(=O)OC(C)(C)C)NC(=O)CCCC#C

DOS

IR

Vibrations