Geometry & MOs

Info

ID:	432496
PubChem CID:	135172629
Reduced:	FN4O6C27H41 (1)
Stoich.:	AB4C6D27E41 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-297.14
Dipole, Da:	6.66
IP(EA), eV:	-9.0(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(propan-2-ylamino)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCC(=O)NCCCCCF)C=C2)C(=O)NO

DOS

IR

Vibrations