Geometry & MOs

Info

ID:	355404
PubChem CID:	127288467
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	274.154209
ΔH_f, kcal/mol:	-90.4
Dipole, Da:	3.93
IP(EA), eV:	-9.03(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-triazol-4-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCCC2C3=C(N(N=C3C)C)C

DOS

IR

Vibrations