Geometry & MOs

Info

ID:	180641
PubChem CID:	76663671
Reduced:	N3O7C37H59 (1)
Stoich.:	A3B7C37D59 (1)
Weight, g/mol:	300.181093
ΔH_f, kcal/mol:	-329.1
Dipole, Da:	11.34
IP(EA), eV:	-9.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-2-ethyl-N,4,5-trimethylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)C(C)C1(CCC2(C3CCC4C5(COCC4(C3=CC(=O)C2(C1C(=O)O)C)CC(C5OCC(C)N=C(CN)N)OC(=O)C)C)C)C

DOS

IR

Vibrations