Geometry & MOs

Info

ID:	194064
PubChem CID:	78476169
Reduced:	N2O3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	268.191269
ΔH_f, kcal/mol:	-79.11
Dipole, Da:	5.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.813274
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[4-(4-methoxybut-2-ynoxymethoxy)pent-2-ynyl]azanium

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(C4=CC=CC=C4)C(=O)[O-]

DOS

IR

Vibrations