Geometry & MOs

Info

ID:	399006
PubChem CID:	135036986
Reduced:	O3C8H14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	163.110947
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	3.24
IP(EA), eV:	-9.98(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(3-methylimidazol-4-yl)methyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

C=CC[C@H]1CO[C@@H]([C@H]1O)CO

DOS

IR

Vibrations