Geometry & MOs

Info

ID:	280829
PubChem CID:	103851515
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-59.79
Dipole, Da:	1.64
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]-N-ethylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CCNCC1=CC=CC=C1C#N

DOS

IR

Vibrations