Geometry & MOs

Info

ID:	280840
PubChem CID:	103851559
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	282.205576
ΔH_f, kcal/mol:	-67.17
Dipole, Da:	2.19
IP(EA), eV:	-9.36(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNCC1=CC=CC=C1C#N

DOS

IR

Vibrations