Geometry & MOs

Info

ID:	371444
PubChem CID:	127346361
Reduced:	O3N5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-31.58
Dipole, Da:	4.76
IP(EA), eV:	-9.06(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylpyrrolidin-1-yl)-(2-pyrazol-1-ylpyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations