Geometry & MOs

Info

ID:	337242
PubChem CID:	127256807
Reduced:	O3N9C29H29 (1)
Stoich.:	A3B9C29D29 (1)
Weight, g/mol:	386.173625
ΔH_f, kcal/mol:	40.52
Dipole, Da:	2.53
IP(EA), eV:	-8.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(E)-(2,4-dimethyl-3H-1,2,4-triazol-2-ium-5-ylidene)amino]-4-N,4-N-diethylbenzene-1,4-diamine;methyl sulfate

Drug info:

PubChemData

Smile

CN1CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=CNN=C(N)N

DOS

IR

Vibrations