Geometry & MOs

Info

ID:	342829
PubChem CID:	127265992
Reduced:	F2O2N3C15H23 (1)
Stoich.:	A2B2C3D15E23 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-190.25
Dipole, Da:	5.12
IP(EA), eV:	-9.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyridin-2-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(C)(C)NCC1=CC(=NC=C1F)F

DOS

IR

Vibrations