Geometry & MOs

Info

ID:	440368
PubChem CID:	135230327
Reduced:	FO6N8C33H37 (1)
Stoich.:	AB6C8D33E37 (1)
Weight, g/mol:	148.076726
ΔH_f, kcal/mol:	-140.06
Dipole, Da:	3.03
IP(EA), eV:	-9.26(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(chloromethyl)-N'-ethylprop-1-ene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=C(N=C2)OC)C(=O)N[C@@H]3CCOC3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations