Geometry & MOs

Info

ID:	263797
PubChem CID:	103399308
Reduced:	FO2N5C13H16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	265.109423
ΔH_f, kcal/mol:	3.13
Dipole, Da:	12.69
IP(EA), eV:	-9.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-tert-butyltriazol-4-yl)methyl]-2-chloropyridin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(N=N1)CNC2=CC(=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations