Geometry & MOs

Info

ID:	326730
PubChem CID:	126688101
Reduced:	NO4H25C44 (1)
Stoich.:	AB4C25D44 (1)
Weight, g/mol:	123.104799
ΔH_f, kcal/mol:	62.85
Dipole, Da:	2.19
IP(EA), eV:	-8.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-buta-1,3-dien-2-ylbut-2-en-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)OC4=C(O3)C=C(C=C4)C5=CC6=C(C=C5)NC7=C6C=C(C=C7)C8=CC9=C(C=C8)OC1=CC2=CC=CC=C2C=C1O9

DOS

IR

Vibrations