Geometry & MOs

Info

ID:	1312
PubChem CID:	4141
Reduced:	NOC9H16 (1)
Stoich.:	ABC9D16 (1)
Weight, g/mol:	154.123189
ΔH_f, kcal/mol:	-1.46
Dipole, Da:	3.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.876881
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[(5-methylfuran-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C[N+](C)(C)C

DOS

IR

Vibrations