Geometry & MOs

Info

ID:	151672
PubChem CID:	56261077
Reduced:	OSF2N6H12C15 (1)
Stoich.:	ABC2D6E12F15 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	21.66
Dipole, Da:	8.79
IP(EA), eV:	-9.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[4-[ethyl(propan-2-yl)amino]benzoyl]-(pyridin-3-ylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

C1CC1C2=C(N=NN2C3=CC=CC=C3)C(=O)NC4=NN=C(S4)C(F)F

DOS

IR

Vibrations