Geometry & MOs

Info

ID:	339200
PubChem CID:	127260579
Reduced:	O3N4C19H19 (2)
Stoich.:	A3B4C19D19 (2)
Weight, g/mol:	374.197235
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	5.62
IP(EA), eV:	-8.35(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-butoxybenzamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N)N=NC(=O)C(C(=O)C)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(C(=O)C)C(=O)N=NC4=C(C=CC(=C4)C(=O)N)C)C)C

DOS

IR

Vibrations