Geometry & MOs

Info

ID:	436726
PubChem CID:	135208219
Reduced:	ON8C29H40 (1)
Stoich.:	AB8C29D40 (1)
Weight, g/mol:	348.129634
ΔH_f, kcal/mol:	54.93
Dipole, Da:	1.79
IP(EA), eV:	-8.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-aminocyclohepta-1,4,6-trien-1-yl)-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1CCCN(C2=NC=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)CN5CCN(CC1)CC5COC)C

DOS

IR

Vibrations