Geometry & MOs

Info

ID:	280914
PubChem CID:	103851913
Reduced:	SN4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	324.252526
ΔH_f, kcal/mol:	47.57
Dipole, Da:	4.5
IP(EA), eV:	-8.73(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CNCC2=C(N(N=C2)C)C)C

DOS

IR

Vibrations