Geometry & MOs

Info

ID:	170626
PubChem CID:	75260846
Reduced:	O3N8C19H24 (1)
Stoich.:	A3B8C19D24 (1)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	2.98
Dipole, Da:	5.34
IP(EA), eV:	-9.72(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylpyrazol-1-yl)ethyl]-5-phenyltriazolidine-4-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=CN(N=N1)CC2CCCN(C2)C(=O)C3=C4C=NC=CN4N=C3

DOS

IR

Vibrations