Geometry & MOs

Info

ID:	446036
PubChem CID:	135271842
Reduced:	ON2H32C50 (1)
Stoich.:	AB2C32D50 (1)
Weight, g/mol:	382.210387
ΔH_f, kcal/mol:	197.32
Dipole, Da:	3.08
IP(EA), eV:	-7.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[[ethyl(formamidomethyl)amino]methyl]phenoxy]-6-hydroxy-4-methoxyhexanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations