Geometry & MOs

Info

ID:	278987
PubChem CID:	103840299
Reduced:	FON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	7.39
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC1(CCNCC1)C(=O)NC2=CN=C(C=C2)F

DOS

IR

Vibrations