Geometry & MOs

Info

ID:	285182
PubChem CID:	104098506
Reduced:	ClN6C9H11 (1)
Stoich.:	AB6C9D11 (1)
Weight, g/mol:	221.189198
ΔH_f, kcal/mol:	83.41
Dipole, Da:	2.01
IP(EA), eV:	-9.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)Cl)NCCN2C=CN=N2

DOS

IR

Vibrations