Geometry & MOs

Info

ID:	271011
PubChem CID:	103640266
Reduced:	N6C11H20 (1)
Stoich.:	A6B11C20 (1)
Weight, g/mol:	194.127994
ΔH_f, kcal/mol:	42.4
Dipole, Da:	5.93
IP(EA), eV:	-9.24(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine

Drug info:

PubChemData

Smile

CCN1C=NN=C1CN=C(N)NC2CCCC2

DOS

IR

Vibrations