Geometry & MOs

Info

ID:	126299
PubChem CID:	50959060
Reduced:	O2N6C19H28 (1)
Stoich.:	A2B6C19D28 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	-40.01
Dipole, Da:	6.77
IP(EA), eV:	-9.09(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzotriazol-1-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=NN(C1=O)CC2CC3=C(N=C(N=C3O2)C)C)CC4CCNCC4

DOS

IR

Vibrations