Geometry & MOs

Info

ID:	139222
PubChem CID:	52493649
Reduced:	O2N3C13H29 (1)
Stoich.:	A2B3C13D29 (1)
Weight, g/mol:	436.199822
ΔH_f, kcal/mol:	-122.65
Dipole, Da:	4.44
IP(EA), eV:	-9.18(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-2-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)(C[NH3+])[NH+](C)C

DOS

IR

Vibrations