Geometry & MOs

Info

ID:	43882
PubChem CID:	10321926
Reduced:	FON8C23H35 (1)
Stoich.:	ABC8D23E35 (1)
Weight, g/mol:	458.278072
ΔH_f, kcal/mol:	-8.3
Dipole, Da:	2.2
IP(EA), eV:	-8.32(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]butanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)N(C)C2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations