Geometry & MOs

Info

ID:	36987
PubChem CID:	8015787
Reduced:	NO4C21H33 (1)
Stoich.:	AB4C21D33 (1)
Weight, g/mol:	395.197082
ΔH_f, kcal/mol:	-181.82
Dipole, Da:	3.28
IP(EA), eV:	-8.97(0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[3-[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]propyl]azanium

Drug info:

PubChemData

Smile

C[C@]12CCC[C@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@H]4CN5CCCC[C@H]5CO)CO3

DOS

IR

Vibrations