Geometry & MOs

Info

ID:	188450
PubChem CID:	77719175
Reduced:	N3O5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	393.165269
ΔH_f, kcal/mol:	-201.13
Dipole, Da:	6.92
IP(EA), eV:	-9.15(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-amino-3-(pyridin-3-ylmethyl)phenyl]ethyl]-3-(3,4-difluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C)CCC(C(=O)NC1C(OCC1=O)CN2CCCC2)NC(=O)C3=COC=C3

DOS

IR

Vibrations