Geometry & MOs

Info

ID:	186440
PubChem CID:	77433897
Reduced:	BrClOH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	424.377727
ΔH_f, kcal/mol:	-0.35
Dipole, Da:	3.65
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[4-[(4-cyclohexyl-1-hydroxypentyl)amino]-5-pyrrolidin-1-ylpentyl]butanamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1OC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations