Geometry & MOs

Info

ID:	150630
PubChem CID:	53790323
Reduced:	SN5O5C24H29 (1)
Stoich.:	AB5C5D24E29 (1)
Weight, g/mol:	292.215078
ΔH_f, kcal/mol:	-101.81
Dipole, Da:	8.68
IP(EA), eV:	-9.06(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[butyl(2-hydroxyethyl)amino]phenyl]pentanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CCN(C2)C(=O)C3=C(C=CC(=C3)N4C=NN=N4)OC)CCOS(=O)(=O)C)C

DOS

IR

Vibrations