Geometry & MOs

Info

ID:	131690
PubChem CID:	51245320
Reduced:	SN9C16H21 (1)
Stoich.:	AB9C16D21 (1)
Weight, g/mol:	334.149284
ΔH_f, kcal/mol:	126.52
Dipole, Da:	8.51
IP(EA), eV:	-8.99(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=NN3C(C)C

DOS

IR

Vibrations