Geometry & MOs

Info

ID:	238821
PubChem CID:	93165559
Reduced:	NO2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-213.16
Dipole, Da:	3.21
IP(EA), eV:	-9.92(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1R)-2-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CC(=O)N(C1)C2CCCC2

DOS

IR

Vibrations