Geometry & MOs

Info

ID:	323846
PubChem CID:	126676316
Reduced:	ON9C21H31 (1)
Stoich.:	AB9C21D31 (1)
Weight, g/mol:	390.202891
ΔH_f, kcal/mol:	62.04
Dipole, Da:	6.64
IP(EA), eV:	-8.28(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[(1-benzyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=CC=C(C=C1)CN2C=C(CN2)CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations