Geometry & MOs

Info

ID:	280843
PubChem CID:	103851570
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-72.52
Dipole, Da:	2.69
IP(EA), eV:	-9.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCCNCC1=CC=CC=C1C#N)C(=O)OC(C)(C)C

DOS

IR

Vibrations