Geometry & MOs

Info

ID:	256242
PubChem CID:	103137920
Reduced:	FN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	23.82
Dipole, Da:	5.72
IP(EA), eV:	-8.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanamine

Drug info:

PubChemData

Smile

CCN(C1=CC(=CC=C1)F)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations