Geometry & MOs

Info

ID:	315768
PubChem CID:	126628723
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	401.220223
ΔH_f, kcal/mol:	40.76
Dipole, Da:	7.26
IP(EA), eV:	-8.39(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(2-aminooxyethoxy)phenyl]-hydroxy-phenylmethyl]heptanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1OC)C2=NC=CC3=C2N=C(N3)C4=CC5=C(C=C4)NC=C5)OC

DOS

IR

Vibrations