Geometry & MOs

Info

ID:	38240
PubChem CID:	8028381
Reduced:	N2O4C24H35 (1)
Stoich.:	A2B4C24D35 (1)
Weight, g/mol:	375.228382
ΔH_f, kcal/mol:	-145.62
Dipole, Da:	33.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.950746
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[3-[[(2S)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoyl]amino]propyl]azanium

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)O[C@@H](C)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C

DOS

IR

Vibrations