Geometry & MOs

Info

ID:	286138
PubChem CID:	104154565
Reduced:	ON3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	322.07931
ΔH_f, kcal/mol:	-50.36
Dipole, Da:	1.12
IP(EA), eV:	-8.35(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-propan-2-ylpyridin-4-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)CNC(C)(C)C)NCCOC

DOS

IR

Vibrations