Geometry & MOs

Info

ID:	138353
PubChem CID:	52352681
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	376.202502
ΔH_f, kcal/mol:	9.56
Dipole, Da:	4.32
IP(EA), eV:	-8.93(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)CN(CC#C)[C@@H]2CCC3=CC=CC=C23

DOS

IR

Vibrations