Geometry & MOs

Info

ID:	281233
PubChem CID:	103911557
Reduced:	FN4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	44.12
Dipole, Da:	4.26
IP(EA), eV:	-9.15(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CNC(C2CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations