Geometry & MOs

Info

ID:	438197
PubChem CID:	135227889
Reduced:	BrON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	100.100048
ΔH_f, kcal/mol:	4.87
Dipole, Da:	2.89
IP(EA), eV:	-8.96(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-N'-methylbut-1-ene-1,1-diamine

Drug info:

PubChemData

Smile

C1COCCC1C(C2=CC=CC=C2)NC3=NC=CC(=C3)Br

DOS

IR

Vibrations