Geometry & MOs

Info

ID:	328198
PubChem CID:	126697537
Reduced:	BrON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	411.40763
ΔH_f, kcal/mol:	-2.05
Dipole, Da:	2.49
IP(EA), eV:	-8.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadecan-9-yl 8-(methylamino)octanoate

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C3C(=CN=C2C=C1)N(C(=O)N3)C)Br

DOS

IR

Vibrations