Geometry & MOs

Info

ID:	141459
PubChem CID:	52879457
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	424.179667
ΔH_f, kcal/mol:	-44.82
Dipole, Da:	5.5
IP(EA), eV:	-8.89(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-[(3,4-dichlorophenyl)methyl]-4-(2-methyl-1H-imidazol-3-ium-3-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2CCN(CC2)CC(=O)NC3CC3

DOS

IR

Vibrations