Geometry & MOs

Info

ID:	425955
PubChem CID:	135133542
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	507.402265
ΔH_f, kcal/mol:	75.61
Dipole, Da:	6.79
IP(EA), eV:	-9.27(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-butyl-2-[3-[3-[[2-(dibutylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]amino]propyl]imidazol-1-ium-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(COC2)NC3=CC(=NC4=NC=NN34)C

DOS

IR

Vibrations