Geometry & MOs

Info

ID:	323648
PubChem CID:	126675653
Reduced:	O2C27H38 (1)
Stoich.:	A2B27C38 (1)
Weight, g/mol:	360.181093
ΔH_f, kcal/mol:	-94.97
Dipole, Da:	1.82
IP(EA), eV:	-8.42(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[3-(azetidin-3-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CCCC(CCC(C)C)OC1=CC=C(C=C1)C2=CC=C(C=C2)COC3CCCC3

DOS

IR

Vibrations