Geometry & MOs

Info

ID:	435443
PubChem CID:	135191475
Reduced:	FON7H26C28 (1)
Stoich.:	ABC7D26E28 (1)
Weight, g/mol:	307.23
ΔH_f, kcal/mol:	36.46
Dipole, Da:	3.97
IP(EA), eV:	-8.17(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N,6,6-trimethyl-N-[[(6E)-6-pent-4-ynylidenecyclohexa-1,3-dien-1-yl]methyl]hept-2-en-4-yn-1-amine

Drug info:

PubChemData

Smile

CC1(CC=C(C=C1)F)NC2=NC(=NC3=C2C(=CN3)C4=CC=NC=C4)NC5=CC6=C(C=C5)N(C(=O)CC6)C

DOS

IR

Vibrations