Geometry & MOs

Info

ID:	271009
PubChem CID:	103640174
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	244.143645
ΔH_f, kcal/mol:	-12.04
Dipole, Da:	3.54
IP(EA), eV:	-8.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)N(C)CCNC(=O)CC1=CC=C(C=C1)C#N

DOS

IR

Vibrations