Geometry & MOs

Info

ID:	377238
PubChem CID:	134223282
Reduced:	SN4H36C57 (1)
Stoich.:	AB4C36D57 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	283.43
Dipole, Da:	2.66
IP(EA), eV:	-7.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N,5-bis(prop-1-en-2-yl)cyclohepta-1,3,6-trien-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC(=C4)C5=CC6=C(C=C5)C7=C(S6)C8=C9C(=CC=CC9=C7)C=CN8C1=CC=CC=C1)C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations