Geometry & MOs

Info

ID:	280079
PubChem CID:	103846717
Reduced:	O2N3C15H31 (1)
Stoich.:	A2B3C15D31 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-131.01
Dipole, Da:	2.14
IP(EA), eV:	-8.72(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]-N-propylcarbamate

Drug info:

PubChemData

Smile

CCCN(CCNC1CCN(C1)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations