Geometry & MOs

Info

ID:	175456
PubChem CID:	75908088
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	419.278407
ΔH_f, kcal/mol:	-82.2
Dipole, Da:	3.93
IP(EA), eV:	-9.45(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations