Geometry & MOs

Info

ID:	416746
PubChem CID:	135090279
Reduced:	O3N6C27H34 (1)
Stoich.:	A3B6C27D34 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-77.87
Dipole, Da:	6.72
IP(EA), eV:	-8.37(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-aminopyridin-3-yl)methyl]-4-(4-ethoxy-3-methylphenyl)butanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)CC2=CC=NC=C2)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations