Geometry & MOs

Info

ID:	271010
PubChem CID:	103640265
Reduced:	N3C6H8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	236.174945
ΔH_f, kcal/mol:	83.15
Dipole, Da:	4.54
IP(EA), eV:	-8.87(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine

Drug info:

PubChemData

Smile

CCN1C=NN=C1CN=C(N)NC2=CC=CC=C2

DOS

IR

Vibrations