Geometry & MOs

Info

ID:	224274
PubChem CID:	85341032
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-94.01
Dipole, Da:	1.24
IP(EA), eV:	-9.33(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[1-(2-methylphenyl)pyrrolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

CCC(=C(C(=O)OC)NC(=O)C)C=CC1=CC=CC=C1

DOS

IR

Vibrations