Geometry & MOs

Info

ID:	130482
PubChem CID:	51090941
Reduced:	ON2F3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-244.63
Dipole, Da:	6.7
IP(EA), eV:	-9.38(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[(1-ethylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1CNC(=O)C23CC4CC(C2)CC(C4)C3)CC(F)(F)F

DOS

IR

Vibrations