Geometry & MOs

Info

ID:	313445
PubChem CID:	126614789
Reduced:	O2F3N9C32H36 (1)
Stoich.:	A2B3C9D32E36 (1)
Weight, g/mol:	138.115698
ΔH_f, kcal/mol:	-92.06
Dipole, Da:	4.52
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine

Drug info:

PubChemData

Smile

CN(C/C=C/C(NC1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)C(=O)NC5=NC=CC(=C5)C(F)(F)F)N)O)C6CC6

DOS

IR

Vibrations