Geometry & MOs

Info

ID:	139211
PubChem CID:	52492840
Reduced:	O2N3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-44.07
Dipole, Da:	2.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.792265
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4-methylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C[NH+](CC1=CC=C(C=C1)C)[C@H]2CCC3=CC=CC=C23

DOS

IR

Vibrations