Geometry & MOs

Info

ID:	138351
PubChem CID:	52352679
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	376.202502
ΔH_f, kcal/mol:	-25.17
Dipole, Da:	4.07
IP(EA), eV:	-9.33(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2,3-dihydro-1H-inden-1-yl]-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-prop-2-ynylazanium

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)CN(CC#C)[C@H]2CCC3=CC=CC=C23

DOS

IR

Vibrations