Geometry & MOs

Info

ID:	175164
PubChem CID:	75862619
Reduced:	ON2C17H32 (1)
Stoich.:	AB2C17D32 (1)
Weight, g/mol:	378.196371
ΔH_f, kcal/mol:	-98.48
Dipole, Da:	3.67
IP(EA), eV:	-8.9(1.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cyclopropyl-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)C(=O)NC2CCCC(C2C)C

DOS

IR

Vibrations