Geometry & MOs

Info

ID:	438012
PubChem CID:	135227523
Reduced:	NC22H33 (1)
Stoich.:	AB22C33 (1)
Weight, g/mol:	297.15175
ΔH_f, kcal/mol:	-12.05
Dipole, Da:	2.45
IP(EA), eV:	-7.92(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E,4Z)-hepta-2,4-dien-6-yn-3-yl]-N-methylphenanthren-9-amine

Drug info:

PubChemData

Smile

CN(C1C[C@H]2CCCCC2C3C1CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations