Geometry & MOs

Info

ID:	280949
PubChem CID:	103852114
Reduced:	FNC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-55.71
Dipole, Da:	1.94
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)NCC2=CC(=CC(=C2)F)F)C

DOS

IR

Vibrations