Geometry & MOs

Info

ID:	138617
PubChem CID:	52395024
Reduced:	ON4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	286.191937
ΔH_f, kcal/mol:	27.65
Dipole, Da:	2.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786251
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(3-ethoxyphenyl)methyl]-[(5-methyl-1H-imidazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCN(CC1=[N+](C=CN1)C)C(=O)C2=CC=CC=C2NCC=C

DOS

IR

Vibrations