Geometry & MOs

Info

ID:	398356
PubChem CID:	135032929
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	38.92
Dipole, Da:	5.85
IP(EA), eV:	-8.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2S,5R)-1-(dimethylamino)-5-methylpyrrolidin-2-yl]-2-methylidenebutanoate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@](C1)(C[N+](=O)[O-])C3=CNC4=CC=CC=C43

DOS

IR

Vibrations