Geometry & MOs

Info

ID:	323854
PubChem CID:	126676348
Reduced:	NC15H21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	401.196408
ΔH_f, kcal/mol:	0.39
Dipole, Da:	1.94
IP(EA), eV:	-9.03(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[[4-(6-methoxypyridin-3-yl)phenyl]methyl]pyrazol-4-yl]methyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)C2CC3CCC(C2)N3

DOS

IR

Vibrations