Geometry & MOs

Info

ID:	175519
PubChem CID:	75915975
Reduced:	N4O5C24H30 (1)
Stoich.:	A4B5C24D30 (1)
Weight, g/mol:	295.202168
ΔH_f, kcal/mol:	-145.7
Dipole, Da:	3.89
IP(EA), eV:	-9.14(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(butylamino)-2-oxoethyl]-(furan-2-ylmethyl)-(oxolan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)NC(=O)CN(CC2CCCO2)CC3=CC=CO3)CCC4=CC=CC=C4

DOS

IR

Vibrations