Geometry & MOs

Info

ID:	139210
PubChem CID:	52492839
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	366.218152
ΔH_f, kcal/mol:	-30.6
Dipole, Da:	6.12
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2,3-dihydro-1H-inden-1-yl]-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)CN3CCN(CC3)CCO

DOS

IR

Vibrations