Geometry & MOs

Info

ID:	245045
PubChem CID:	99432241
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-130.87
Dipole, Da:	4.09
IP(EA), eV:	-8.53(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[2-oxo-2-[[1-(quinolin-8-ylmethyl)pyrazol-3-yl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC(=O)N1CCC[C@@H]1CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations